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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Anisole, ReagentPlus™, 99%, Solstice

CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00008354 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1

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PubChem CID	7519
CAS	100-66-3
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:16579
MDL Number	MFCD00008354
SMILES	COC1=CC=CC=C1
Synonym	methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name	anisole
InChI Key	RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula	C7H8O

4-Ethyl-2-methoxyphenol, 98%

CAS: 2785-89-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00038714 InChI Key: CHWNEIVBYREQRF-UHFFFAOYSA-N Synonym: 4-ethylguaiacol,p-ethylguaiacol,2-methoxy-4-ethylphenol,phenol, 4-ethyl-2-methoxy,homocresol,guaiacyl ethane,4-ethyl-2-methoxy-phenol,4-hydroxy-3-methoxy ethylbenzene,unii-c9nfd83bj5,guaiacol, 4-ethyl PubChem CID: 62465 IUPAC Name: 4-ethyl-2-methoxyphenol SMILES: CCC1=CC=C(O)C(OC)=C1

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PubChem CID	62465
CAS	2785-89-9
Molecular Weight (g/mol)	152.19
MDL Number	MFCD00038714
SMILES	CCC1=CC=C(O)C(OC)=C1
Synonym	4-ethylguaiacol,p-ethylguaiacol,2-methoxy-4-ethylphenol,phenol, 4-ethyl-2-methoxy,homocresol,guaiacyl ethane,4-ethyl-2-methoxy-phenol,4-hydroxy-3-methoxy ethylbenzene,unii-c9nfd83bj5,guaiacol, 4-ethyl
IUPAC Name	4-ethyl-2-methoxyphenol
InChI Key	CHWNEIVBYREQRF-UHFFFAOYSA-N
Molecular Formula	C9H12O2

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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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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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-Chloro-2-methylanisole, 97%

CAS: 3260-88-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00070772 InChI Key: LTVRGAWOEOKGJZ-UHFFFAOYSA-N Synonym: 3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa PubChem CID: 76749 IUPAC Name: 1-chloro-3-methoxy-2-methylbenzene SMILES: COC1=CC=CC(Cl)=C1C

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PubChem CID	76749
CAS	3260-88-6
Molecular Weight (g/mol)	156.61
MDL Number	MFCD00070772
SMILES	COC1=CC=CC(Cl)=C1C
Synonym	3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa
IUPAC Name	1-chloro-3-methoxy-2-methylbenzene
InChI Key	LTVRGAWOEOKGJZ-UHFFFAOYSA-N
Molecular Formula	C8H9ClO

4-(4-Methoxyphenyl)butyric acid, 98%

CAS: 4521-28-2 Molecular Formula: C₁₁H₁₄O₃ Molecular Weight (g/mol): 194.23 MDL Number: MFCD00004404 InChI Key: LZHMNCJMXQKSBY-UHFFFAOYSA-N Synonym: 4-4-methoxyphenyl butyric acid,4-4-methoxyphenyl butanoic acid,benzenebutanoic acid, 4-methoxy,4-4-methoxyphenyl butyricacid,4-4-methoxyphenyl-1-butyric acid,p-methoxy-g-phenylbutyric acid,pubchem15207,4-methoxybenzenebutyric acid,4-p-methoxyphenylbutyric acid PubChem CID: 78280 IUPAC Name: 4-(4-methoxyphenyl)butanoic acid SMILES: COC1=CC=C(C=C1)CCCC(=O)O

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Specifications

PubChem CID	78280
CAS	4521-28-2
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00004404
SMILES	COC1=CC=C(C=C1)CCCC(=O)O
Synonym	4-4-methoxyphenyl butyric acid,4-4-methoxyphenyl butanoic acid,benzenebutanoic acid, 4-methoxy,4-4-methoxyphenyl butyricacid,4-4-methoxyphenyl-1-butyric acid,p-methoxy-g-phenylbutyric acid,pubchem15207,4-methoxybenzenebutyric acid,4-p-methoxyphenylbutyric acid
IUPAC Name	4-(4-methoxyphenyl)butanoic acid
InChI Key	LZHMNCJMXQKSBY-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₄O₃

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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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

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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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

o-Anisic acid, 99%

CAS: 579-75-9 Molecular Formula: C₈H₈O₃ Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002431 InChI Key: ILUJQPXNXACGAN-UHFFFAOYSA-N Synonym: o-anisic acid,o-methoxybenzoic acid,2-anisic acid,o-methylsalicylic acid,benzoic acid, 2-methoxy,salicylic acid methyl ether,2-methoxy-benzoic acid,2-methoxybenzoicacid,o-methoxy benzoic acid,ortho-methoxybenzoic acid PubChem CID: 11370 ChEBI: CHEBI:421840 IUPAC Name: 2-methoxybenzoic acid SMILES: COC1=CC=CC=C1C(=O)O

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Specifications

PubChem CID	11370
CAS	579-75-9
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:421840
MDL Number	MFCD00002431
SMILES	COC1=CC=CC=C1C(=O)O
Synonym	o-anisic acid,o-methoxybenzoic acid,2-anisic acid,o-methylsalicylic acid,benzoic acid, 2-methoxy,salicylic acid methyl ether,2-methoxy-benzoic acid,2-methoxybenzoicacid,o-methoxy benzoic acid,ortho-methoxybenzoic acid
IUPAC Name	2-methoxybenzoic acid
InChI Key	ILUJQPXNXACGAN-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₃

4-(Trifluoromethoxy)anisole, 98+%

CAS: 710-18-9 Molecular Formula: C8H7F3O2 Molecular Weight (g/mol): 192.137 MDL Number: MFCD00216942 InChI Key: NOAFZIOGGDPYKK-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy anisole,1-methoxy-4-trifluoromethoxy benzene,p-trifluoromethoxy anisole,4-trifluoromethoxyanisole,benzene, 1-methoxy-4-trifluoromethoxy,4-methoxy trifluoromethoxy benzene,hydroquinone methyl trifluoromethyl ether,trifluoro 4-methoxyphenoxy methane,pubchem3570,acmc-1bcz3 PubChem CID: 2724973 IUPAC Name: 1-methoxy-4-(trifluoromethoxy)benzene SMILES: COC1=CC=C(C=C1)OC(F)(F)F

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Specifications

PubChem CID	2724973
CAS	710-18-9
Molecular Weight (g/mol)	192.137
MDL Number	MFCD00216942
SMILES	COC1=CC=C(C=C1)OC(F)(F)F
Synonym	4-trifluoromethoxy anisole,1-methoxy-4-trifluoromethoxy benzene,p-trifluoromethoxy anisole,4-trifluoromethoxyanisole,benzene, 1-methoxy-4-trifluoromethoxy,4-methoxy trifluoromethoxy benzene,hydroquinone methyl trifluoromethyl ether,trifluoro 4-methoxyphenoxy methane,pubchem3570,acmc-1bcz3
IUPAC Name	1-methoxy-4-(trifluoromethoxy)benzene
InChI Key	NOAFZIOGGDPYKK-UHFFFAOYSA-N
Molecular Formula	C8H7F3O2

4-Hydroxy-3-methoxybenzonitrile, 98%

CAS: 4421-08-3 MDL Number: MFCD00001820

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Specifications

CAS	4421-08-3
MDL Number	MFCD00001820

3,5-Dibromoanisole, 97%, Thermo Scientific Chemicals

CAS: 74137-36-3 Molecular Formula: C7H6Br2O Molecular Weight (g/mol): 265.932 MDL Number: MFCD02258848 InChI Key: OQZAQBGJENJMHT-UHFFFAOYSA-N Synonym: 3,5-dibromoanisole,1,3-dibromo-5-methoxy-benzene,benzene, 1,3-dibromo-5-methoxy,pubchem2009,acmc-1bh5r,ksc493q1d,1.3-dibromo-5-methoxybenzene PubChem CID: 11021812 IUPAC Name: 1,3-dibromo-5-methoxybenzene SMILES: COC1=CC(=CC(=C1)Br)Br

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Specifications

PubChem CID	11021812
CAS	74137-36-3
Molecular Weight (g/mol)	265.932
MDL Number	MFCD02258848
SMILES	COC1=CC(=CC(=C1)Br)Br
Synonym	3,5-dibromoanisole,1,3-dibromo-5-methoxy-benzene,benzene, 1,3-dibromo-5-methoxy,pubchem2009,acmc-1bh5r,ksc493q1d,1.3-dibromo-5-methoxybenzene
IUPAC Name	1,3-dibromo-5-methoxybenzene
InChI Key	OQZAQBGJENJMHT-UHFFFAOYSA-N
Molecular Formula	C7H6Br2O

4-Methoxy-N-phenylbenzamide, 97%

CAS: 7465-88-5 Molecular Formula: C14H13NO2 Molecular Weight (g/mol): 227.26 MDL Number: MFCD00025810 InChI Key: XOJAJRFBOKCXPI-UHFFFAOYSA-N Synonym: 4-methoxy-n-phenyl-benzamide,n-phenyl-4-methoxybenzamide,anisanilid,p-anisanilide,4-methoxyphenyl-n-benzamide,benzamide, 4-methoxy-n-phenyl PubChem CID: 346037 IUPAC Name: 4-methoxy-N-phenylbenzamide SMILES: COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1

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Specifications

PubChem CID	346037
CAS	7465-88-5
Molecular Weight (g/mol)	227.26
MDL Number	MFCD00025810
SMILES	COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1
Synonym	4-methoxy-n-phenyl-benzamide,n-phenyl-4-methoxybenzamide,anisanilid,p-anisanilide,4-methoxyphenyl-n-benzamide,benzamide, 4-methoxy-n-phenyl
IUPAC Name	4-methoxy-N-phenylbenzamide
InChI Key	XOJAJRFBOKCXPI-UHFFFAOYSA-N
Molecular Formula	C14H13NO2

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