Methoxybenzenes

Organic compounds that consist of a phenyl group with a methoxy functional group substitution; a methoxy group has an oxygen atom bonded to a methyl group.

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1,3,5-Trimethoxybenzene, 99%

CAS: 621-23-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00008385 InChI Key: LKUDPHPHKOZXCD-UHFFFAOYSA-N Synonym: phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259 PubChem CID: 69301 ChEBI: CHEBI:31038 IUPAC Name: 1,3,5-trimethoxybenzene SMILES: COC1=CC(OC)=CC(OC)=C1

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Specifications

PubChem CID	69301
CAS	621-23-8
Molecular Weight (g/mol)	168.19
ChEBI	CHEBI:31038
MDL Number	MFCD00008385
SMILES	COC1=CC(OC)=CC(OC)=C1
Synonym	phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259
IUPAC Name	1,3,5-trimethoxybenzene
InChI Key	LKUDPHPHKOZXCD-UHFFFAOYSA-N
Molecular Formula	C9H12O3

3-Chloroanisole, 98+%

CAS: 2845-89-8 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00000591 InChI Key: YUKILTJWFRTXGB-UHFFFAOYSA-N Synonym: 3-chloroanisole,m-chloroanisole,benzene, 1-chloro-3-methoxy,anisole, m-chloro,3-chloroanisol,meta-chloroanisole,3-anisolyl chloride,pubchem3615,3-chloromethoxybenzene,m-methoxyphenyl chloride PubChem CID: 17833 IUPAC Name: 1-chloro-3-methoxybenzene SMILES: COC1=CC(=CC=C1)Cl

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Specifications

PubChem CID	17833
CAS	2845-89-8
Molecular Weight (g/mol)	142.582
MDL Number	MFCD00000591
SMILES	COC1=CC(=CC=C1)Cl
Synonym	3-chloroanisole,m-chloroanisole,benzene, 1-chloro-3-methoxy,anisole, m-chloro,3-chloroanisol,meta-chloroanisole,3-anisolyl chloride,pubchem3615,3-chloromethoxybenzene,m-methoxyphenyl chloride
IUPAC Name	1-chloro-3-methoxybenzene
InChI Key	YUKILTJWFRTXGB-UHFFFAOYSA-N
Molecular Formula	C7H7ClO

3,4,5-Trimethoxyphenylacetic acid, 99%

CAS: 951-82-6 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.228 MDL Number: MFCD00004336 InChI Key: DDSJXCGGOXKGSJ-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy PubChem CID: 70372 IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetic acid SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)O

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Specifications

PubChem CID	70372
CAS	951-82-6
Molecular Weight (g/mol)	226.228
MDL Number	MFCD00004336
SMILES	COC1=CC(=CC(=C1OC)OC)CC(=O)O
Synonym	3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy
IUPAC Name	2-(3,4,5-trimethoxyphenyl)acetic acid
InChI Key	DDSJXCGGOXKGSJ-UHFFFAOYSA-N
Molecular Formula	C11H14O5

Ethyl 3-methoxyphenylacetate, 98%

CAS: 35553-92-5 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00026897 InChI Key: XXVVNHCWPHMLEZ-UHFFFAOYSA-N Synonym: ethyl 3-methoxyphenylacetate,ethyl 2-3-methoxyphenyl acetate,ethyl 3-methoxyphenyl acetate,benzeneacetic acid, 3-methoxy-, ethyl ester,acmc-20akzh,3-methoxy-phenyl-acetic acid ethyl ester,ethyl 2-3-methoxyphenyl ethanoate,3-methoxyphenylacetic acid ethyl ester,3-methoxybenzeneacetic acid ethyl ester,2-3-methoxyphenyl acetic acid ethyl ester PubChem CID: 2774971 IUPAC Name: ethyl 2-(3-methoxyphenyl)acetate SMILES: CCOC(=O)CC1=CC(=CC=C1)OC

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Specifications

PubChem CID	2774971
CAS	35553-92-5
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00026897
SMILES	CCOC(=O)CC1=CC(=CC=C1)OC
Synonym	ethyl 3-methoxyphenylacetate,ethyl 2-3-methoxyphenyl acetate,ethyl 3-methoxyphenyl acetate,benzeneacetic acid, 3-methoxy-, ethyl ester,acmc-20akzh,3-methoxy-phenyl-acetic acid ethyl ester,ethyl 2-3-methoxyphenyl ethanoate,3-methoxyphenylacetic acid ethyl ester,3-methoxybenzeneacetic acid ethyl ester,2-3-methoxyphenyl acetic acid ethyl ester
IUPAC Name	ethyl 2-(3-methoxyphenyl)acetate
InChI Key	XXVVNHCWPHMLEZ-UHFFFAOYSA-N
Molecular Formula	C11H14O3

3-Methoxyphenylacetic acid, 97%

CAS: 1798-09-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004334 InChI Key: LEGPZHPSIPPYIO-UHFFFAOYSA-N Synonym: 3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my PubChem CID: 15719 IUPAC Name: 2-(3-methoxyphenyl)acetic acid SMILES: COC1=CC=CC(=C1)CC(=O)O

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Specifications

PubChem CID	15719
CAS	1798-09-0
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00004334
SMILES	COC1=CC=CC(=C1)CC(=O)O
Synonym	3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my
IUPAC Name	2-(3-methoxyphenyl)acetic acid
InChI Key	LEGPZHPSIPPYIO-UHFFFAOYSA-N
Molecular Formula	C9H10O3

PESTANAL™ 2,4,6-Tribromanisole Analytical Standard, MilliporeSigma™ Supelco™

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4-Bromo-3-methylanisole, 97%

CAS: 27060-75-9 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD00060687 InChI Key: BLZNSXFQRKVFRP-UHFFFAOYSA-N Synonym: 2-bromo-5-methoxytoluene,4-bromo-3-methylanisole,benzene, 1-bromo-4-methoxy-2-methyl,4-bromo-3-methyl-anisole,unii-okr329132j,1-bromo-2-methyl-4-methoxybenzene,1-brom-4-methoxy-2-methylbenzol,pubchem3796,3-methyl-4-bromoanisole,acmc-1cg4z PubChem CID: 117915 IUPAC Name: 1-bromo-4-methoxy-2-methylbenzene SMILES: CC1=C(C=CC(=C1)OC)Br

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Specifications

PubChem CID	117915
CAS	27060-75-9
Molecular Weight (g/mol)	201.063
MDL Number	MFCD00060687
SMILES	CC1=C(C=CC(=C1)OC)Br
Synonym	2-bromo-5-methoxytoluene,4-bromo-3-methylanisole,benzene, 1-bromo-4-methoxy-2-methyl,4-bromo-3-methyl-anisole,unii-okr329132j,1-bromo-2-methyl-4-methoxybenzene,1-brom-4-methoxy-2-methylbenzol,pubchem3796,3-methyl-4-bromoanisole,acmc-1cg4z
IUPAC Name	1-bromo-4-methoxy-2-methylbenzene
InChI Key	BLZNSXFQRKVFRP-UHFFFAOYSA-N
Molecular Formula	C8H9BrO

Homovanillic acid, 98%

CAS: 306-08-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00004350 InChI Key: QRMZSPFSDQBLIX-UHFFFAOYSA-N Synonym: homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid PubChem CID: 1738 ChEBI: CHEBI:545959 IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)CC(=O)O)O

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Specifications

PubChem CID	1738
CAS	306-08-1
Molecular Weight (g/mol)	182.175
ChEBI	CHEBI:545959
MDL Number	MFCD00004350
SMILES	COC1=C(C=CC(=C1)CC(=O)O)O
Synonym	homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid
IUPAC Name	2-(4-hydroxy-3-methoxyphenyl)acetic acid
InChI Key	QRMZSPFSDQBLIX-UHFFFAOYSA-N
Molecular Formula	C9H10O4

2-Fluoro-5-methoxybenzonitrile, 98%, Thermo Scientific Chemicals

CAS: 127667-01-0 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00142921 InChI Key: VBZLRHYLNXWZIU-UHFFFAOYSA-N Synonym: 2-fluoro-5-methoxy-benzonitrile,benzonitrile, 2-fluoro-5-methoxy,3-cyano-4-fluoroanisole,fluoromethoxybenzonitrile2,2-fluoro-5-methoxybenzenecarbonitrile,pubchem3500,acmc-209bct,ksc494m9f,2-fluoro-5-methoxy benzonitrile,buttpark 80\01-21 PubChem CID: 2774546 IUPAC Name: 2-fluoro-5-methoxybenzonitrile SMILES: COC1=CC(C#N)=C(F)C=C1

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Specifications

PubChem CID	2774546
CAS	127667-01-0
Molecular Weight (g/mol)	151.14
MDL Number	MFCD00142921
SMILES	COC1=CC(C#N)=C(F)C=C1
Synonym	2-fluoro-5-methoxy-benzonitrile,benzonitrile, 2-fluoro-5-methoxy,3-cyano-4-fluoroanisole,fluoromethoxybenzonitrile2,2-fluoro-5-methoxybenzenecarbonitrile,pubchem3500,acmc-209bct,ksc494m9f,2-fluoro-5-methoxy benzonitrile,buttpark 80\01-21
IUPAC Name	2-fluoro-5-methoxybenzonitrile
InChI Key	VBZLRHYLNXWZIU-UHFFFAOYSA-N
Molecular Formula	C8H6FNO

2-Methylanisole, 99%

CAS: 578-58-5 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00008373 InChI Key: DTFKRVXLBCAIOZ-UHFFFAOYSA-N Synonym: 2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene PubChem CID: 33637 IUPAC Name: 1-methoxy-2-methylbenzene SMILES: CC1=CC=CC=C1OC

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Specifications

PubChem CID	33637
CAS	578-58-5
Molecular Weight (g/mol)	122.167
MDL Number	MFCD00008373
SMILES	CC1=CC=CC=C1OC
Synonym	2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene
IUPAC Name	1-methoxy-2-methylbenzene
InChI Key	DTFKRVXLBCAIOZ-UHFFFAOYSA-N
Molecular Formula	C8H10O

1-Bromo-3,4,5-trimethoxybenzene, 97%

CAS: 2675-79-8 Molecular Formula: C9H11BrO3 Molecular Weight (g/mol): 247.09 MDL Number: MFCD00017169 InChI Key: XAOOZMATJDXDQJ-UHFFFAOYSA-N Synonym: 1-bromo-3,4,5-trimethoxybenzene,3,4,5-trimethoxybromobenzene,bromotrimethoxybenzene,benzene, 5-bromo-1,2,3-trimethoxy,5-bromo-1,2,3-trimethoxy-benzene,pubchem10980,3,4,5-trimethoxybromoben,ksc490o1d,3,4,5-trimethoxyphenylbromide,3,4,5-triemethoxyphenylbromide PubChem CID: 75885 IUPAC Name: 5-bromo-1,2,3-trimethoxybenzene SMILES: COC1=CC(Br)=CC(OC)=C1OC

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Specifications

PubChem CID	75885
CAS	2675-79-8
Molecular Weight (g/mol)	247.09
MDL Number	MFCD00017169
SMILES	COC1=CC(Br)=CC(OC)=C1OC
Synonym	1-bromo-3,4,5-trimethoxybenzene,3,4,5-trimethoxybromobenzene,bromotrimethoxybenzene,benzene, 5-bromo-1,2,3-trimethoxy,5-bromo-1,2,3-trimethoxy-benzene,pubchem10980,3,4,5-trimethoxybromoben,ksc490o1d,3,4,5-trimethoxyphenylbromide,3,4,5-triemethoxyphenylbromide
IUPAC Name	5-bromo-1,2,3-trimethoxybenzene
InChI Key	XAOOZMATJDXDQJ-UHFFFAOYSA-N
Molecular Formula	C9H11BrO3

4-Methoxyphenylacetic acid, 99%

CAS: 104-01-8 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004345 InChI Key: NRPFNQUDKRYCNX-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid PubChem CID: 7690 ChEBI: CHEBI:55501 IUPAC Name: 2-(4-methoxyphenyl)acetic acid SMILES: COC1=CC=C(C=C1)CC(=O)O

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Specifications

PubChem CID	7690
CAS	104-01-8
Molecular Weight (g/mol)	166.18
ChEBI	CHEBI:55501
MDL Number	MFCD00004345
SMILES	COC1=CC=C(C=C1)CC(=O)O
Synonym	4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid
IUPAC Name	2-(4-methoxyphenyl)acetic acid
InChI Key	NRPFNQUDKRYCNX-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₃

Anisonitrile, 99%

CAS: 874-90-8 Molecular Formula: C₈H₇NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001818 InChI Key: XDJAAZYHCCRJOK-UHFFFAOYSA-N Synonym: anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile PubChem CID: 70129 IUPAC Name: 4-methoxybenzonitrile SMILES: COC1=CC=C(C=C1)C#N

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Specifications

PubChem CID	70129
CAS	874-90-8
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00001818
SMILES	COC1=CC=C(C=C1)C#N
Synonym	anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile
IUPAC Name	4-methoxybenzonitrile
InChI Key	XDJAAZYHCCRJOK-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO

3-Fluoroanisole, 98%, Thermo Scientific™

CAS: 456-49-5 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00000335 InChI Key: MFJNOXOAIFNSBX-UHFFFAOYSA-N Synonym: 3-fluoroanisole,m-fluoroanisole,benzene, 1-fluoro-3-methoxy,1-fluoro-3-methoxy-benzene,2-fluoro-4-methoxybenzene,fr co1 wln,3-fluoroanisol,3-fluoro-anisole,3-fluoro anisole,anisole, m-fluoro PubChem CID: 9975 IUPAC Name: 1-fluoro-3-methoxybenzene SMILES: COC1=CC=CC(F)=C1

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Specifications

PubChem CID	9975
CAS	456-49-5
Molecular Weight (g/mol)	126.13
MDL Number	MFCD00000335
SMILES	COC1=CC=CC(F)=C1
Synonym	3-fluoroanisole,m-fluoroanisole,benzene, 1-fluoro-3-methoxy,1-fluoro-3-methoxy-benzene,2-fluoro-4-methoxybenzene,fr co1 wln,3-fluoroanisol,3-fluoro-anisole,3-fluoro anisole,anisole, m-fluoro
IUPAC Name	1-fluoro-3-methoxybenzene
InChI Key	MFJNOXOAIFNSBX-UHFFFAOYSA-N
Molecular Formula	C7H7FO

PubChem CID	9975
CAS	456-49-5
Molecular Weight (g/mol)	126.13
MDL Number	MFCD00000335
SMILES	COC1=CC=CC(F)=C1
Synonym	3-fluoroanisole,m-fluoroanisole,benzene, 1-fluoro-3-methoxy,1-fluoro-3-methoxy-benzene,2-fluoro-4-methoxybenzene,fr co1 wln,3-fluoroanisol,3-fluoro-anisole,3-fluoro anisole,anisole, m-fluoro
IUPAC Name	1-fluoro-3-methoxybenzene
InChI Key	MFJNOXOAIFNSBX-UHFFFAOYSA-N
Molecular Formula	C7H7FO

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