Phenylpropanes

Organic compound that contain a propane chain with a phenyl substitution in the following structure: C₆H₅CH₂CH2CH3. These compounds are considered hydrocarbons.

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1 – 15 of 349 results

4-tert-Butylbenzyl bromide, 97%

CAS: 18880-00-7 Molecular Formula: C11H15Br Molecular Weight (g/mol): 227.145 MDL Number: MFCD00000180 InChI Key: QZNQSIHCDAGZIA-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl bromide,p-tert-butylbenzyl bromide,1-bromomethyl-4-tert-butyl benzene,4-tert-butylbenzylbromide,1-bromomethyl-4-tert-butylbenzene,4-tert-butyl benzylbromide,p-t-butylbenzyl bromide,1-bromomethyl-4-1,1-dimethylethyl benzene,4-t-butylbenzylbromide,4-tert-buthylbenzyl bromide PubChem CID: 87836 IUPAC Name: 1-(bromomethyl)-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)CBr

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Specifications

PubChem CID	87836
CAS	18880-00-7
Molecular Weight (g/mol)	227.145
MDL Number	MFCD00000180
SMILES	CC(C)(C)C1=CC=C(C=C1)CBr
Synonym	4-tert-butylbenzyl bromide,p-tert-butylbenzyl bromide,1-bromomethyl-4-tert-butyl benzene,4-tert-butylbenzylbromide,1-bromomethyl-4-tert-butylbenzene,4-tert-butyl benzylbromide,p-t-butylbenzyl bromide,1-bromomethyl-4-1,1-dimethylethyl benzene,4-t-butylbenzylbromide,4-tert-buthylbenzyl bromide
IUPAC Name	1-(bromomethyl)-4-tert-butylbenzene
InChI Key	QZNQSIHCDAGZIA-UHFFFAOYSA-N
Molecular Formula	C11H15Br

2-tert-Butyltoluene, 99%

CAS: 1074-92-6 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00059209 InChI Key: AXHVNJGQOJFMHT-UHFFFAOYSA-N PubChem CID: 33712 IUPAC Name: 1-tert-butyl-2-methylbenzene SMILES: CC1=CC=CC=C1C(C)(C)C

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Specifications

PubChem CID	33712
CAS	1074-92-6
Molecular Weight (g/mol)	148.249
MDL Number	MFCD00059209
SMILES	CC1=CC=CC=C1C(C)(C)C
IUPAC Name	1-tert-butyl-2-methylbenzene
InChI Key	AXHVNJGQOJFMHT-UHFFFAOYSA-N
Molecular Formula	C11H16

4,4'-Isopropylidenediphenol, 97%

CAS: 80-05-7 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00002366 InChI Key: IISBACLAFKSPIT-UHFFFAOYSA-N Synonym: bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian PubChem CID: 6623 ChEBI: CHEBI:33216 IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol SMILES: CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

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Specifications

PubChem CID	6623
CAS	80-05-7
Molecular Weight (g/mol)	228.29
ChEBI	CHEBI:33216
MDL Number	MFCD00002366
SMILES	CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Synonym	bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian
IUPAC Name	4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
InChI Key	IISBACLAFKSPIT-UHFFFAOYSA-N
Molecular Formula	C15H16O2

5-tert-Butyl-2-methoxybenzeneboronic acid, 98+%, Thermo Scientific Chemicals

CAS: 128733-85-7 Molecular Formula: C11H17BO3 Molecular Weight (g/mol): 208.064 MDL Number: MFCD06201034 InChI Key: LXFOJKCQSAYVMF-UHFFFAOYSA-N Synonym: 5-tert-butyl-2-methoxyphenyl boronic acid,5-t-butyl-2-methoxyphenylboronic acid,5-tert-butyl-2-methoxybenzeneboronic acid,2-borono-4-tert-butyl anisole,acmc-1c4zr,2-methoxy-5-tert-butylphenylboronic acid,5-tert-butyl-2-methoxyphenyl boronicacid,boronic acid, b-5-1,1-dimethylethyl-2-methoxyphenyl PubChem CID: 14740579 IUPAC Name: (5-tert-butyl-2-methoxyphenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)C(C)(C)C)OC)(O)O

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Specifications

PubChem CID	14740579
CAS	128733-85-7
Molecular Weight (g/mol)	208.064
MDL Number	MFCD06201034
SMILES	B(C1=C(C=CC(=C1)C(C)(C)C)OC)(O)O
Synonym	5-tert-butyl-2-methoxyphenyl boronic acid,5-t-butyl-2-methoxyphenylboronic acid,5-tert-butyl-2-methoxybenzeneboronic acid,2-borono-4-tert-butyl anisole,acmc-1c4zr,2-methoxy-5-tert-butylphenylboronic acid,5-tert-butyl-2-methoxyphenyl boronicacid,boronic acid, b-5-1,1-dimethylethyl-2-methoxyphenyl
IUPAC Name	(5-tert-butyl-2-methoxyphenyl)boronic acid
InChI Key	LXFOJKCQSAYVMF-UHFFFAOYSA-N
Molecular Formula	C11H17BO3

sec-Butylbenzene, 99+%

CAS: 135-98-8 Molecular Formula: C₁₀H₁₄ Molecular Weight (g/mol): 134.22 MDL Number: MFCD00009329 InChI Key: ZJMWRROPUADPEA-UHFFFAOYSA-N Synonym: sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene PubChem CID: 8680 ChEBI: CHEBI:35097 IUPAC Name: butan-2-ylbenzene SMILES: CCC(C)C1=CC=CC=C1

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Specifications

PubChem CID	8680
CAS	135-98-8
Molecular Weight (g/mol)	134.22
ChEBI	CHEBI:35097
MDL Number	MFCD00009329
SMILES	CCC(C)C1=CC=CC=C1
Synonym	sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene
IUPAC Name	butan-2-ylbenzene
InChI Key	ZJMWRROPUADPEA-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄

n-Propylbenzene, 98%

CAS: 103-65-1 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.20 MDL Number: MFCD00009377 InChI Key: ODLMAHJVESYWTB-UHFFFAOYSA-N Synonym: n-propylbenzene,1-phenylpropane,phenylpropane,benzene, propyl,1-propylbenzene,isocumene,n-propyl benzene,propyl-benzene,unii-0wr86zhg2z,propylbenzene, n PubChem CID: 7668 ChEBI: CHEBI:42630 IUPAC Name: propylbenzene SMILES: CCCC1=CC=CC=C1

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Specifications

PubChem CID	7668
CAS	103-65-1
Molecular Weight (g/mol)	120.20
ChEBI	CHEBI:42630
MDL Number	MFCD00009377
SMILES	CCCC1=CC=CC=C1
Synonym	n-propylbenzene,1-phenylpropane,phenylpropane,benzene, propyl,1-propylbenzene,isocumene,n-propyl benzene,propyl-benzene,unii-0wr86zhg2z,propylbenzene, n
IUPAC Name	propylbenzene
InChI Key	ODLMAHJVESYWTB-UHFFFAOYSA-N
Molecular Formula	C9H12

4-tert-Butylbenzeneboronic acid, 97%

CAS: 123324-71-0 Molecular Formula: C10H15BO2 Molecular Weight (g/mol): 178.04 MDL Number: MFCD01009697 InChI Key: MNJYZNVROSZZQC-UHFFFAOYSA-N Synonym: 4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid PubChem CID: 2734320 IUPAC Name: (4-tert-butylphenyl)boronic acid SMILES: CC(C)(C)C1=CC=C(C=C1)B(O)O

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Specifications

PubChem CID	2734320
CAS	123324-71-0
Molecular Weight (g/mol)	178.04
MDL Number	MFCD01009697
SMILES	CC(C)(C)C1=CC=C(C=C1)B(O)O
Synonym	4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid
IUPAC Name	(4-tert-butylphenyl)boronic acid
InChI Key	MNJYZNVROSZZQC-UHFFFAOYSA-N
Molecular Formula	C10H15BO2

2-(4-Bromophenyl)-2-propanol, 97%

CAS: 2077-19-2 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD11870096 InChI Key: AOGYBHJTXLXRSM-UHFFFAOYSA-N Synonym: 2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol PubChem CID: 12681920 IUPAC Name: 2-(4-bromophenyl)propan-2-ol SMILES: CC(C)(O)C1=CC=C(Br)C=C1

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Specifications

PubChem CID	12681920
CAS	2077-19-2
Molecular Weight (g/mol)	215.09
MDL Number	MFCD11870096
SMILES	CC(C)(O)C1=CC=C(Br)C=C1
Synonym	2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol
IUPAC Name	2-(4-bromophenyl)propan-2-ol
InChI Key	AOGYBHJTXLXRSM-UHFFFAOYSA-N
Molecular Formula	C9H11BrO

1-(4-Chlorophenyl)-1-methylethylamine, 97%

CAS: 17797-11-4 Molecular Formula: C9H12ClN Molecular Weight (g/mol): 169.65 MDL Number: MFCD08669636 InChI Key: JCUUNSQUTQELEZ-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl propan-2-amine,1-4-chlorophenyl-1-methylethylamine,2-4-chlorophenyl prop-2-ylamine,4-chloro-alpha,alpha-dimethylbenzylamine,4-chlorocumylamine,alpha-amino-4-chlorocumene,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,benzenemethanamine,4-chloro-,a,,a-dimethyl,benzenemethanamine,4-chloro-a,a-dimethyl PubChem CID: 11030256 IUPAC Name: 2-(4-chlorophenyl)propan-2-amine SMILES: CC(C)(N)C1=CC=C(Cl)C=C1

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Specifications

PubChem CID	11030256
CAS	17797-11-4
Molecular Weight (g/mol)	169.65
MDL Number	MFCD08669636
SMILES	CC(C)(N)C1=CC=C(Cl)C=C1
Synonym	2-4-chlorophenyl propan-2-amine,1-4-chlorophenyl-1-methylethylamine,2-4-chlorophenyl prop-2-ylamine,4-chloro-alpha,alpha-dimethylbenzylamine,4-chlorocumylamine,alpha-amino-4-chlorocumene,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,benzenemethanamine,4-chloro-,a,,a-dimethyl,benzenemethanamine,4-chloro-a,a-dimethyl
IUPAC Name	2-(4-chlorophenyl)propan-2-amine
InChI Key	JCUUNSQUTQELEZ-UHFFFAOYSA-N
Molecular Formula	C9H12ClN

1-(4-Fluorophenyl)-2-methyl-2-propylamine, 96%

CAS: 1200-27-7 Molecular Formula: C10H14FN Molecular Weight (g/mol): 167.227 MDL Number: MFCD00082702 InChI Key: JITFIYFVPMQJOK-UHFFFAOYSA-N Synonym: 1-4-fluorophenyl-2-methylpropan-2-amine,1-4-fluorophenyl-2-methyl-2-propylamine,4-fluorophenyl-2-methyl-2-aminopropane,1-4-fluorophenyl-2-methyl-2-aminopropane,1-4-fluorophenyl-2-methyl-2-propanamine,1-4-fluorophenyl-2-methylprop-2-ylamine,1-4-fluorophenyl-2-methyl-propan-2-amine,1,1-dimethyl-2-4-fluorophenyl ethylamine,2-4-fluoro-phenyl-1,1-dimethyl-ethylamine,acmc-1alz4 PubChem CID: 518471 IUPAC Name: 1-(4-fluorophenyl)-2-methylpropan-2-amine SMILES: CC(C)(CC1=CC=C(C=C1)F)N

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Specifications

PubChem CID	518471
CAS	1200-27-7
Molecular Weight (g/mol)	167.227
MDL Number	MFCD00082702
SMILES	CC(C)(CC1=CC=C(C=C1)F)N
Synonym	1-4-fluorophenyl-2-methylpropan-2-amine,1-4-fluorophenyl-2-methyl-2-propylamine,4-fluorophenyl-2-methyl-2-aminopropane,1-4-fluorophenyl-2-methyl-2-aminopropane,1-4-fluorophenyl-2-methyl-2-propanamine,1-4-fluorophenyl-2-methylprop-2-ylamine,1-4-fluorophenyl-2-methyl-propan-2-amine,1,1-dimethyl-2-4-fluorophenyl ethylamine,2-4-fluoro-phenyl-1,1-dimethyl-ethylamine,acmc-1alz4
IUPAC Name	1-(4-fluorophenyl)-2-methylpropan-2-amine
InChI Key	JITFIYFVPMQJOK-UHFFFAOYSA-N
Molecular Formula	C10H14FN

1-Phenyl-1,2-propanedione-2-oxime, 99%

CAS: 119-51-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00002115 InChI Key: YPINLRNGSGGJJT-JXMROGBWSA-N Synonym: 1-phenyl-1,2-propanedione-2-oxime,2-hydroxyimino propiophenone,isonitrosopropiophenone,2-hydroxyiminopropiophenone,2-hydroxyimino-1-phenylpropan-1-one,propiophenone, isonitroso,2-isonitrosopropiophenone,alpha-oximinopropiophenone,1-phenyl-1,2-propanedione 2-oxime,.alpha.-oximinopropiophenone PubChem CID: 9566063 IUPAC Name: (2E)-2-hydroxyimino-1-phenylpropan-1-one SMILES: C\C(=N/O)C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	9566063
CAS	119-51-7
Molecular Weight (g/mol)	163.18
MDL Number	MFCD00002115
SMILES	C\C(=N/O)C(=O)C1=CC=CC=C1
Synonym	1-phenyl-1,2-propanedione-2-oxime,2-hydroxyimino propiophenone,isonitrosopropiophenone,2-hydroxyiminopropiophenone,2-hydroxyimino-1-phenylpropan-1-one,propiophenone, isonitroso,2-isonitrosopropiophenone,alpha-oximinopropiophenone,1-phenyl-1,2-propanedione 2-oxime,.alpha.-oximinopropiophenone
IUPAC Name	(2E)-2-hydroxyimino-1-phenylpropan-1-one
InChI Key	YPINLRNGSGGJJT-JXMROGBWSA-N
Molecular Formula	C9H9NO2

1,3-Di-tert-butyl-2-methoxybenzene, 99%

CAS: 1516-95-6 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.36 MDL Number: MFCD20483412 InChI Key: OGIJRUWUWSZKAV-UHFFFAOYSA-N Synonym: 1,3-di-tert-butyl-2-methoxybenzene,benzene, 1,3-bis 1,1-dimethylethyl-2-methoxy,2,6-di-tert-butylanisole PubChem CID: 12794694 IUPAC Name: 1,3-ditert-butyl-2-methoxybenzene SMILES: COC1=C(C=CC=C1C(C)(C)C)C(C)(C)C

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Specifications

PubChem CID	12794694
CAS	1516-95-6
Molecular Weight (g/mol)	220.36
MDL Number	MFCD20483412
SMILES	COC1=C(C=CC=C1C(C)(C)C)C(C)(C)C
Synonym	1,3-di-tert-butyl-2-methoxybenzene,benzene, 1,3-bis 1,1-dimethylethyl-2-methoxy,2,6-di-tert-butylanisole
IUPAC Name	1,3-ditert-butyl-2-methoxybenzene
InChI Key	OGIJRUWUWSZKAV-UHFFFAOYSA-N
Molecular Formula	C15H24O

1-(2-Fluorophenyl)-2-propylamine, 97%

CAS: 1716-60-5 Molecular Formula: C9H12FN Molecular Weight (g/mol): 153.20 MDL Number: MFCD01708100 InChI Key: GDSXNLDTQFFIEU-UHFFFAOYNA-N Synonym: 2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride PubChem CID: 121531 IUPAC Name: 1-(2-fluorophenyl)propan-2-amine SMILES: CC(N)CC1=CC=CC=C1F

Pricing and Availability
Specifications

PubChem CID	121531
CAS	1716-60-5
Molecular Weight (g/mol)	153.20
MDL Number	MFCD01708100
SMILES	CC(N)CC1=CC=CC=C1F
Synonym	2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride
IUPAC Name	1-(2-fluorophenyl)propan-2-amine
InChI Key	GDSXNLDTQFFIEU-UHFFFAOYNA-N
Molecular Formula	C9H12FN

alpha-Isopropylphenylacetic acid, 97%

CAS: 3508-94-9 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00021708 InChI Key: HDLQGISFYDYWFJ-UHFFFAOYSA-N Synonym: alpha-isopropylphenylacetic acid,2-isopropyl-2-phenylacetic acid,3-methyl-2-phenyl-butyric acid,3-methyl-2-phenylbutyric acid,butyric acid, 3-methyl-2-phenyl,benzeneacetic acid, alpha-1-methylethyl,2-phenylisovaleric acid,acmc-1bn3m,benzeneacetic acid, alpha-1-methylethyl-9ci,alpha-isopropylphenylaceticacid PubChem CID: 19024 IUPAC Name: 3-methyl-2-phenylbutanoic acid SMILES: CC(C)C(C1=CC=CC=C1)C(=O)O

Pricing and Availability
Specifications

PubChem CID	19024
CAS	3508-94-9
Molecular Weight (g/mol)	178.231
MDL Number	MFCD00021708
SMILES	CC(C)C(C1=CC=CC=C1)C(=O)O
Synonym	alpha-isopropylphenylacetic acid,2-isopropyl-2-phenylacetic acid,3-methyl-2-phenyl-butyric acid,3-methyl-2-phenylbutyric acid,butyric acid, 3-methyl-2-phenyl,benzeneacetic acid, alpha-1-methylethyl,2-phenylisovaleric acid,acmc-1bn3m,benzeneacetic acid, alpha-1-methylethyl-9ci,alpha-isopropylphenylaceticacid
IUPAC Name	3-methyl-2-phenylbutanoic acid
InChI Key	HDLQGISFYDYWFJ-UHFFFAOYSA-N
Molecular Formula	C11H14O2

2-Fluorophenylacetone, 98%

CAS: 2836-82-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.168 MDL Number: MFCD00000325 InChI Key: BANVZEUCJHUPOI-UHFFFAOYSA-N Synonym: 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone # PubChem CID: 76086 IUPAC Name: 1-(2-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1F

Pricing and Availability
Specifications

PubChem CID	76086
CAS	2836-82-0
Molecular Weight (g/mol)	152.168
MDL Number	MFCD00000325
SMILES	CC(=O)CC1=CC=CC=C1F
Synonym	2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone #
IUPAC Name	1-(2-fluorophenyl)propan-2-one
InChI Key	BANVZEUCJHUPOI-UHFFFAOYSA-N
Molecular Formula	C9H9FO

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