Phenoxy compounds

Organic compounds that have one or more phenyl groups that are bonded to an oxygen with a radical electron; includes compounds with additional substitutions.

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Hydroquinone bis(2-hydroxyethyl)ether, 98+%

CAS: 104-38-1 Molecular Formula: C₁₀H₁₄O₄ Molecular Weight (g/mol): 198.22 MDL Number: MFCD00002861 InChI Key: WTPYFJNYAMXZJG-UHFFFAOYSA-N Synonym: hydroquinone bis 2-hydroxyethyl ether,1,4-bis 2-hydroxyethoxy benzene,vernatzer 30/10,2,2'-1,4-phenylenebis oxy diethanol,hydroquinone di 2-hydroxyethyl ether,hydroquinone diethylol ether,2,2'-phenylenedioxy diethanol,2,2'-p-phenylenedioxy diethanol,2,2'-p-phenylenedioxydiethanol,2-4-2-hydroxyethoxy phenoxy ethanol PubChem CID: 66912 IUPAC Name: 2-[4-(2-hydroxyethoxy)phenoxy]ethanol SMILES: C1=CC(=CC=C1OCCO)OCCO

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Specifications

PubChem CID	66912
CAS	104-38-1
Molecular Weight (g/mol)	198.22
MDL Number	MFCD00002861
SMILES	C1=CC(=CC=C1OCCO)OCCO
Synonym	hydroquinone bis 2-hydroxyethyl ether,1,4-bis 2-hydroxyethoxy benzene,vernatzer 30/10,2,2'-1,4-phenylenebis oxy diethanol,hydroquinone di 2-hydroxyethyl ether,hydroquinone diethylol ether,2,2'-phenylenedioxy diethanol,2,2'-p-phenylenedioxy diethanol,2,2'-p-phenylenedioxydiethanol,2-4-2-hydroxyethoxy phenoxy ethanol
IUPAC Name	2-[4-(2-hydroxyethoxy)phenoxy]ethanol
InChI Key	WTPYFJNYAMXZJG-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄O₄

4-Allyl-2,6-dimethoxyphenol, 98%

CAS: 6627-88-9 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008655 InChI Key: FWMPKHMKIJDEMJ-UHFFFAOYSA-N Synonym: 4-allyl-2,6-dimethoxyphenol,methoxyeugenol,4-allylsyringol,phenol, 2,6-dimethoxy-4-2-propenyl,2,6-dimethoxychavicol,phenol, 4-allyl-2,6-dimethoxy,unii-8vf00ywp89,2,6-dimethoxy-4-allylphenol,2,6-dimethoxy-4-prop-2-en-1-yl phenol,4-hydroxy-3,5-dimethoxyallylbenzene PubChem CID: 226486 ChEBI: CHEBI:86562 IUPAC Name: 2,6-dimethoxy-4-prop-2-enylphenol SMILES: COC1=CC(CC=C)=CC(OC)=C1O

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Specifications

PubChem CID	226486
CAS	6627-88-9
Molecular Weight (g/mol)	194.23
ChEBI	CHEBI:86562
MDL Number	MFCD00008655
SMILES	COC1=CC(CC=C)=CC(OC)=C1O
Synonym	4-allyl-2,6-dimethoxyphenol,methoxyeugenol,4-allylsyringol,phenol, 2,6-dimethoxy-4-2-propenyl,2,6-dimethoxychavicol,phenol, 4-allyl-2,6-dimethoxy,unii-8vf00ywp89,2,6-dimethoxy-4-allylphenol,2,6-dimethoxy-4-prop-2-en-1-yl phenol,4-hydroxy-3,5-dimethoxyallylbenzene
IUPAC Name	2,6-dimethoxy-4-prop-2-enylphenol
InChI Key	FWMPKHMKIJDEMJ-UHFFFAOYSA-N
Molecular Formula	C11H14O3

Phenyl carbamate, 98+%

CAS: 622-46-8 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007961 InChI Key: BSCCSDNZEIHXOK-UHFFFAOYSA-N Synonym: carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate PubChem CID: 69322 IUPAC Name: phenyl carbamate SMILES: C1=CC=C(C=C1)OC(=O)N

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Specifications

PubChem CID	69322
CAS	622-46-8
Molecular Weight (g/mol)	137.138
MDL Number	MFCD00007961
SMILES	C1=CC=C(C=C1)OC(=O)N
Synonym	carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate
IUPAC Name	phenyl carbamate
InChI Key	BSCCSDNZEIHXOK-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

Ethyl 3-[(6-methylpyrazin-2-yl)oxy]benzoate, 97%, Thermo Scientific™

CAS: 906352-99-6 Molecular Formula: C14H14N2O3 Molecular Weight (g/mol): 258.28 MDL Number: MFCD09702407 InChI Key: ALDBUDYDJSLBJO-UHFFFAOYSA-N Synonym: ethyl 3-6-methylpyrazin-2-yl oxy benzoate,ethyl 3-6-methylpyrazin-2-yloxy benzoate,benzoic acid,3-6-methyl-2-pyrazinyl oxy-,ethyl ester PubChem CID: 24229683 IUPAC Name: ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate SMILES: CCOC(=O)C1=CC(OC2=NC(C)=CN=C2)=CC=C1

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Specifications

PubChem CID	24229683
CAS	906352-99-6
Molecular Weight (g/mol)	258.28
MDL Number	MFCD09702407
SMILES	CCOC(=O)C1=CC(OC2=NC(C)=CN=C2)=CC=C1
Synonym	ethyl 3-6-methylpyrazin-2-yl oxy benzoate,ethyl 3-6-methylpyrazin-2-yloxy benzoate,benzoic acid,3-6-methyl-2-pyrazinyl oxy-,ethyl ester
IUPAC Name	ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate
InChI Key	ALDBUDYDJSLBJO-UHFFFAOYSA-N
Molecular Formula	C14H14N2O3

Phenyl methanesulfonate, 98%

CAS: 16156-59-5 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00095143 InChI Key: WXVUCMFEGJUVTN-UHFFFAOYSA-N Synonym: phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester PubChem CID: 316170 IUPAC Name: phenyl methanesulfonate SMILES: CS(=O)(=O)OC1=CC=CC=C1

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Specifications

PubChem CID	316170
CAS	16156-59-5
Molecular Weight (g/mol)	172.20
MDL Number	MFCD00095143
SMILES	CS(=O)(=O)OC1=CC=CC=C1
Synonym	phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester
IUPAC Name	phenyl methanesulfonate
InChI Key	WXVUCMFEGJUVTN-UHFFFAOYSA-N
Molecular Formula	C7H8O3S

2,4,6-Triphenoxy-1,3,5-triazine, 96%, Thermo Scientific Chemicals

CAS: 1919-48-8 Molecular Formula: C21H15N3O3 Molecular Weight (g/mol): 357.37 MDL Number: MFCD00006048 InChI Key: IYDYVVVAQKFGBS-UHFFFAOYSA-N PubChem CID: 15973 IUPAC Name: 2,4,6-triphenoxy-1,3,5-triazine SMILES: O(C1=CC=CC=C1)C1=NC(OC2=CC=CC=C2)=NC(OC2=CC=CC=C2)=N1

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Specifications

PubChem CID	15973
CAS	1919-48-8
Molecular Weight (g/mol)	357.37
MDL Number	MFCD00006048
SMILES	O(C1=CC=CC=C1)C1=NC(OC2=CC=CC=C2)=NC(OC2=CC=CC=C2)=N1
IUPAC Name	2,4,6-triphenoxy-1,3,5-triazine
InChI Key	IYDYVVVAQKFGBS-UHFFFAOYSA-N
Molecular Formula	C21H15N3O3

Phenyl chloroformate, 99%

CAS: 1885-14-9 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00000637 InChI Key: AHWALFGBDFAJAI-UHFFFAOYSA-N Synonym: phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y PubChem CID: 15891 IUPAC Name: phenyl carbonochloridate SMILES: ClC(=O)OC1=CC=CC=C1

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Specifications

PubChem CID	15891
CAS	1885-14-9
Molecular Weight (g/mol)	156.57
MDL Number	MFCD00000637
SMILES	ClC(=O)OC1=CC=CC=C1
Synonym	phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y
IUPAC Name	phenyl carbonochloridate
InChI Key	AHWALFGBDFAJAI-UHFFFAOYSA-N
Molecular Formula	C7H5ClO2

4-n-Butoxybenzoic acid, 98%

CAS: 1498-96-0 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00002546 InChI Key: LAUFPZPAKULAGB-UHFFFAOYSA-N Synonym: p-butoxybenzoic acid,4-n-butoxybenzoic acid,benzoic acid, 4-butoxy,benzoic acid, p-butoxy,p-butyloxybenzoic acid,4-butoxy-benzoic acid,4-butyloxybenzoic acid,p-n-butoxybenzoic acid,p-n-butyloxybenzoic acid,4-n-butyloxybenzoic acid PubChem CID: 72971 IUPAC Name: 4-butoxybenzoic acid SMILES: CCCCOC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	72971
CAS	1498-96-0
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00002546
SMILES	CCCCOC1=CC=C(C=C1)C(=O)O
Synonym	p-butoxybenzoic acid,4-n-butoxybenzoic acid,benzoic acid, 4-butoxy,benzoic acid, p-butoxy,p-butyloxybenzoic acid,4-butoxy-benzoic acid,4-butyloxybenzoic acid,p-n-butoxybenzoic acid,p-n-butyloxybenzoic acid,4-n-butyloxybenzoic acid
IUPAC Name	4-butoxybenzoic acid
InChI Key	LAUFPZPAKULAGB-UHFFFAOYSA-N
Molecular Formula	C11H14O3

n-Butyl phenyl ether, 99%

CAS: 1126-79-0 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00009438 InChI Key: YFNONBGXNFCTMM-UHFFFAOYSA-N Synonym: butyl phenyl ether,n-butyl phenyl ether,benzene, butoxy,ether, butyl phenyl,phenyl butyl ether,butoxyphenyl,n-butoxybenzene,butyloxy benzene,n-butylphenylether,butoxy-benzene PubChem CID: 14311 IUPAC Name: butoxybenzene SMILES: CCCCOC1=CC=CC=C1

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Specifications

PubChem CID	14311
CAS	1126-79-0
Molecular Weight (g/mol)	150.221
MDL Number	MFCD00009438
SMILES	CCCCOC1=CC=CC=C1
Synonym	butyl phenyl ether,n-butyl phenyl ether,benzene, butoxy,ether, butyl phenyl,phenyl butyl ether,butoxyphenyl,n-butoxybenzene,butyloxy benzene,n-butylphenylether,butoxy-benzene
IUPAC Name	butoxybenzene
InChI Key	YFNONBGXNFCTMM-UHFFFAOYSA-N
Molecular Formula	C10H14O

1,4-Diethoxybenzene, 98%

CAS: 122-95-2 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00015146 InChI Key: VWGNFIQXBYRDCH-UHFFFAOYSA-N Synonym: benzene, 1,4-diethoxy,p-diethoxybenzene,hydroquinone diethyl ether,benzene, p-diethoxy,diethoxybenzene,1,4-diethoxy-benzen,benzene,4-diethoxy,1,4-diethoxybenzol,hydroquinonedlethylether,acmc-209ans PubChem CID: 67150 IUPAC Name: 1,4-diethoxybenzene SMILES: CCOC1=CC=C(OCC)C=C1

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Specifications

PubChem CID	67150
CAS	122-95-2
Molecular Weight (g/mol)	166.22
MDL Number	MFCD00015146
SMILES	CCOC1=CC=C(OCC)C=C1
Synonym	benzene, 1,4-diethoxy,p-diethoxybenzene,hydroquinone diethyl ether,benzene, p-diethoxy,diethoxybenzene,1,4-diethoxy-benzen,benzene,4-diethoxy,1,4-diethoxybenzol,hydroquinonedlethylether,acmc-209ans
IUPAC Name	1,4-diethoxybenzene
InChI Key	VWGNFIQXBYRDCH-UHFFFAOYSA-N
Molecular Formula	C10H14O2

Methyltriphenoxyphosphonium iodide, 95%

CAS: 17579-99-6 Molecular Formula: C₁₉H₁₈IO₃P Molecular Weight (g/mol): 452.22 MDL Number: MFCD00011911 InChI Key: VKTOBGBZBCELGC-UHFFFAOYSA-M Synonym: methyltriphenoxyphosphonium iodide,methyltriphenoxyphosphanium iodide,acmc-20ake2,triphenyl phosphite methoiodide,methyl triphenoxyphosphonium iodide,methyl triphenoxy phosphanium iodide,methyltriphenoxyphosphorus 1+ iodide,phosphorus 1+ ,methyltriphenoxy-, iodide 1:1 , t-4 PubChem CID: 2735090 IUPAC Name: methyl(triphenoxy)phosphanium;iodide SMILES: C[P+](OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3.[I-]

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Specifications

PubChem CID	2735090
CAS	17579-99-6
Molecular Weight (g/mol)	452.22
MDL Number	MFCD00011911
SMILES	C[P+](OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3.[I-]
Synonym	methyltriphenoxyphosphonium iodide,methyltriphenoxyphosphanium iodide,acmc-20ake2,triphenyl phosphite methoiodide,methyl triphenoxyphosphonium iodide,methyl triphenoxy phosphanium iodide,methyltriphenoxyphosphorus 1+ iodide,phosphorus 1+ ,methyltriphenoxy-, iodide 1:1 , t-4
IUPAC Name	methyl(triphenoxy)phosphanium;iodide
InChI Key	VKTOBGBZBCELGC-UHFFFAOYSA-M
Molecular Formula	C₁₉H₁₈IO₃P

4-Bromophenyl chloroformate, 95+%

CAS: 7693-44-9 Molecular Formula: C₇H₄BrClO₂ Molecular Weight (g/mol): 235.46 MDL Number: MFCD00013256 InChI Key: IKMNJYGTSSQNSE-UHFFFAOYSA-N Synonym: 4-bromophenyl chloroformate,acmc-1bh45,4-bromophenylcarbonochloridate,4-bromophenyl carbonochloridate,carbonochloridic acid, 4-bromophenyl ester,4-bromophenyl carbonochloridate;4-bromophenyl carbonochloridate PubChem CID: 5237736 IUPAC Name: (4-bromophenyl) carbonochloridate SMILES: C1=CC(=CC=C1OC(=O)Cl)Br

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Specifications

PubChem CID	5237736
CAS	7693-44-9
Molecular Weight (g/mol)	235.46
MDL Number	MFCD00013256
SMILES	C1=CC(=CC=C1OC(=O)Cl)Br
Synonym	4-bromophenyl chloroformate,acmc-1bh45,4-bromophenylcarbonochloridate,4-bromophenyl carbonochloridate,carbonochloridic acid, 4-bromophenyl ester,4-bromophenyl carbonochloridate;4-bromophenyl carbonochloridate
IUPAC Name	(4-bromophenyl) carbonochloridate
InChI Key	IKMNJYGTSSQNSE-UHFFFAOYSA-N
Molecular Formula	C₇H₄BrClO₂

Diphenylphosphonic azide, 97%

CAS: 26386-88-9 Molecular Formula: C12H10N3O3P Molecular Weight (g/mol): 275.20 MDL Number: MFCD00001987 InChI Key: SORGEQQSQGNZFI-UHFFFAOYSA-N Synonym: diphenylphosphoryl azide,diphenyl azidophosphate,diphenylphosphonic azide,diphenyl phosphoryl azide,diphenyl phosphorazidate,phosphorazidic acid, diphenyl ester,azido phenoxy phosphoryl oxy benzene,dppa polymer-bound,diphenylphosphorazidate,unii-gxm91165av PubChem CID: 123414 IUPAC Name: [azido(phenoxy)phosphoryl]oxybenzene SMILES: [N-]=[N+]=NP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1

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Specifications

PubChem CID	123414
CAS	26386-88-9
Molecular Weight (g/mol)	275.20
MDL Number	MFCD00001987
SMILES	[N-]=[N+]=NP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
Synonym	diphenylphosphoryl azide,diphenyl azidophosphate,diphenylphosphonic azide,diphenyl phosphoryl azide,diphenyl phosphorazidate,phosphorazidic acid, diphenyl ester,azido phenoxy phosphoryl oxy benzene,dppa polymer-bound,diphenylphosphorazidate,unii-gxm91165av
IUPAC Name	[azido(phenoxy)phosphoryl]oxybenzene
InChI Key	SORGEQQSQGNZFI-UHFFFAOYSA-N
Molecular Formula	C12H10N3O3P

3,4-Dimethoxytoluene, 98%

CAS: 494-99-5 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00016651 InChI Key: GYPMBQZAVBFUIZ-UHFFFAOYSA-N Synonym: 3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol PubChem CID: 68126 IUPAC Name: 1,2-dimethoxy-4-methylbenzene SMILES: CC1=CC(=C(C=C1)OC)OC

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Specifications

PubChem CID	68126
CAS	494-99-5
Molecular Weight (g/mol)	152.193
MDL Number	MFCD00016651
SMILES	CC1=CC(=C(C=C1)OC)OC
Synonym	3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol
IUPAC Name	1,2-dimethoxy-4-methylbenzene
InChI Key	GYPMBQZAVBFUIZ-UHFFFAOYSA-N
Molecular Formula	C9H12O2

1,3-Dimethoxybenzene, 98%

CAS: 151-10-0 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008384 InChI Key: DPZNOMCNRMUKPS-UHFFFAOYSA-N Synonym: m-dimethoxybenzene,resorcinol dimethyl ether,benzene, 1,3-dimethoxy,3-methoxyanisole,benzene, m-dimethoxy,dimethyl resorcinol,m-methoxyanisole,dimethylresorcinol,methoxyanisole, m,dimethylether resorcinolu PubChem CID: 9025 IUPAC Name: 1,3-dimethoxybenzene SMILES: COC1=CC(OC)=CC=C1

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Specifications

PubChem CID	9025
CAS	151-10-0
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00008384
SMILES	COC1=CC(OC)=CC=C1
Synonym	m-dimethoxybenzene,resorcinol dimethyl ether,benzene, 1,3-dimethoxy,3-methoxyanisole,benzene, m-dimethoxy,dimethyl resorcinol,m-methoxyanisole,dimethylresorcinol,methoxyanisole, m,dimethylether resorcinolu
IUPAC Name	1,3-dimethoxybenzene
InChI Key	DPZNOMCNRMUKPS-UHFFFAOYSA-N
Molecular Formula	C8H10O2

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