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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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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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

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

3-(Pyrid-2-yloxy)benzoic acid, 97%, Thermo Scientific™

CAS: 51362-30-2 Molecular Formula: C12H9NO3 Molecular Weight (g/mol): 215.208 MDL Number: MFCD09025853 InChI Key: LYSIEAIIZBZRCE-UHFFFAOYSA-N Synonym: 3-pyridin-2-yloxy benzoic acid,3-pyrid-2-yloxy benzoic acid,3-2-pyridyloxy benzoic acid,3-2 pyridyloxy-benzoic acid,3-pyridin-2-yl oxy benzoic acid,benzoic acid, 3-2-pyridinyloxy PubChem CID: 21901423 IUPAC Name: 3-pyridin-2-yloxybenzoic acid SMILES: C1=CC=NC(=C1)OC2=CC=CC(=C2)C(=O)O

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Specifications

PubChem CID	21901423
CAS	51362-30-2
Molecular Weight (g/mol)	215.208
MDL Number	MFCD09025853
SMILES	C1=CC=NC(=C1)OC2=CC=CC(=C2)C(=O)O
Synonym	3-pyridin-2-yloxy benzoic acid,3-pyrid-2-yloxy benzoic acid,3-2-pyridyloxy benzoic acid,3-2 pyridyloxy-benzoic acid,3-pyridin-2-yl oxy benzoic acid,benzoic acid, 3-2-pyridinyloxy
IUPAC Name	3-pyridin-2-yloxybenzoic acid
InChI Key	LYSIEAIIZBZRCE-UHFFFAOYSA-N
Molecular Formula	C12H9NO3

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

Ethyl 5-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylate, 98+%

CAS: 2037-81-2 Molecular Formula: C12H11N3O4S Molecular Weight (g/mol): 293.30 MDL Number: MFCD00100230 InChI Key: FCPHNPRVMWSGSK-UHFFFAOYSA-N Synonym: ethyl 5-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylate,ethyl 5-phenoxycarbonyl amino-1,2,3-thiadiazole-4-carboxylate,5-n-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylic acid ethyl ester,tos-bb-0370,ethyl 5-phenoxycarbonylamino thiadiazole-4-carboxylate,ethyl 5-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylate, 98+% PubChem CID: 6917126 IUPAC Name: ethyl 5-(phenoxycarbonylamino)thiadiazole-4-carboxylate SMILES: CCOC(=O)C1=C(NC(=O)OC2=CC=CC=C2)SN=N1

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Specifications

PubChem CID	6917126
CAS	2037-81-2
Molecular Weight (g/mol)	293.30
MDL Number	MFCD00100230
SMILES	CCOC(=O)C1=C(NC(=O)OC2=CC=CC=C2)SN=N1
Synonym	ethyl 5-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylate,ethyl 5-phenoxycarbonyl amino-1,2,3-thiadiazole-4-carboxylate,5-n-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylic acid ethyl ester,tos-bb-0370,ethyl 5-phenoxycarbonylamino thiadiazole-4-carboxylate,ethyl 5-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylate, 98+%
IUPAC Name	ethyl 5-(phenoxycarbonylamino)thiadiazole-4-carboxylate
InChI Key	FCPHNPRVMWSGSK-UHFFFAOYSA-N
Molecular Formula	C12H11N3O4S

Methyl phenyl carbonate, 97%

CAS: 13509-27-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD04039782 InChI Key: XTBFPVLHGVYOQH-UHFFFAOYSA-N Synonym: carbonic acid, methyl phenyl ester,phenyl methyl carbonate,phenyl methoxyformate,acmc-20akf2,carbonic acid methyl phenyl PubChem CID: 139482 IUPAC Name: methyl phenyl carbonate SMILES: COC(=O)OC1=CC=CC=C1

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Specifications

PubChem CID	139482
CAS	13509-27-8
Molecular Weight (g/mol)	152.15
MDL Number	MFCD04039782
SMILES	COC(=O)OC1=CC=CC=C1
Synonym	carbonic acid, methyl phenyl ester,phenyl methyl carbonate,phenyl methoxyformate,acmc-20akf2,carbonic acid methyl phenyl
IUPAC Name	methyl phenyl carbonate
InChI Key	XTBFPVLHGVYOQH-UHFFFAOYSA-N
Molecular Formula	C8H8O3

3,5-Dimethoxyphenylacetic acid, 98%

CAS: 4670-10-4 MDL Number: MFCD00016827

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Specifications

CAS	4670-10-4
MDL Number	MFCD00016827

Methyl pentafluorophenyl carbonate, 97%, Thermo Scientific Chemicals

CAS: 36919-03-6 Molecular Formula: C8H3F5O3 Molecular Weight (g/mol): 242.10 MDL Number: MFCD01075723 InChI Key: HGYOVHMDBHQLOE-UHFFFAOYSA-N Synonym: methyl pentafluorophenyl carbonate,carbonic acid, methyl pentafluorophenyl ester,acmc-20akf4,pentafluorophenoxy methoxy ketone,methyl perfluorophenyl carbonate,carbonic acid methyl pentafluorophenyl ester PubChem CID: 14189360 SMILES: COC(=O)OC1=C(F)C(F)=C(F)C(F)=C1F

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Specifications

PubChem CID	14189360
CAS	36919-03-6
Molecular Weight (g/mol)	242.10
MDL Number	MFCD01075723
SMILES	COC(=O)OC1=C(F)C(F)=C(F)C(F)=C1F
Synonym	methyl pentafluorophenyl carbonate,carbonic acid, methyl pentafluorophenyl ester,acmc-20akf4,pentafluorophenoxy methoxy ketone,methyl perfluorophenyl carbonate,carbonic acid methyl pentafluorophenyl ester
InChI Key	HGYOVHMDBHQLOE-UHFFFAOYSA-N
Molecular Formula	C8H3F5O3

o-Phenetidine, 99%

CAS: 94-70-2 Molecular Formula: C₈H₁₁NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00007689 InChI Key: ULHFFAFDSSHFDA-UHFFFAOYSA-N Synonym: o-phenetidine,2-aminophenetole,benzenamine, 2-ethoxy,o-ethoxyaniline,2-ethoxybenzenamine,o-aminophenetole,2-ethoxyphenylamine,ethoxyaniline,2-phenetidine,benzenamine, ar-ethoxy PubChem CID: 7203 IUPAC Name: 2-ethoxyaniline SMILES: CCOC1=CC=CC=C1N

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PubChem CID	7203
CAS	94-70-2
Molecular Weight (g/mol)	137.18
MDL Number	MFCD00007689
SMILES	CCOC1=CC=CC=C1N
Synonym	o-phenetidine,2-aminophenetole,benzenamine, 2-ethoxy,o-ethoxyaniline,2-ethoxybenzenamine,o-aminophenetole,2-ethoxyphenylamine,ethoxyaniline,2-phenetidine,benzenamine, ar-ethoxy
IUPAC Name	2-ethoxyaniline
InChI Key	ULHFFAFDSSHFDA-UHFFFAOYSA-N
Molecular Formula	C₈H₁₁NO

O-Phenylhydroxylamine hydrochloride, 97%

CAS: 6092-80-4 Molecular Formula: C₆H₇NO·ClH Molecular Weight (g/mol): 145.59 InChI Key: DBTXKJJSFWZJNS-UHFFFAOYSA-N Synonym: o-phenylhydroxylamine hydrochloride,o-phenylhydroxylamine hcl,phenoxyamine hydrochloride,hydroxylamine, o-phenyl-, hydrochloride,acmc-20ak08,n-phenoxyamine hydrochloride,o-phenylhydroxylamne hydrochlorde,o-phenyl-hydroxylamine hydrochloride,o-phenylhydroxylamine hydrochloride at PubChem CID: 6365179 IUPAC Name: O-phenylhydroxylamine;hydrochloride SMILES: C1=CC=C(C=C1)ON.Cl

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PubChem CID	6365179
CAS	6092-80-4
Molecular Weight (g/mol)	145.59
SMILES	C1=CC=C(C=C1)ON.Cl
Synonym	o-phenylhydroxylamine hydrochloride,o-phenylhydroxylamine hcl,phenoxyamine hydrochloride,hydroxylamine, o-phenyl-, hydrochloride,acmc-20ak08,n-phenoxyamine hydrochloride,o-phenylhydroxylamne hydrochlorde,o-phenyl-hydroxylamine hydrochloride,o-phenylhydroxylamine hydrochloride at
IUPAC Name	O-phenylhydroxylamine;hydrochloride
InChI Key	DBTXKJJSFWZJNS-UHFFFAOYSA-N
Molecular Formula	C₆H₇NO·ClH

Diphenylphosphoryl azide, 98%

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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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

Phenyl chlorothionoformate, 98+%

CAS: 1005-56-7 Molecular Formula: C7H5ClOS Molecular Weight (g/mol): 172.63 MDL Number: MFCD00004920 InChI Key: KOSYAAIZOGNATQ-UHFFFAOYSA-N Synonym: o-phenyl carbonochloridothioate,phenyl chlorothionoformate,o-phenyl chlorothioformate,phenyl chlorothioformate,phenyl thioxochloroformate,phenyl chlorothionocarbonate,phenoxythiocarbonyl chloride,chlorothioformic acid phenyl ester,o-phenyl chlorothionoformate,o-phenyl chlorothiocarbonate PubChem CID: 70498 SMILES: ClC(=S)OC1=CC=CC=C1

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PubChem CID	70498
CAS	1005-56-7
Molecular Weight (g/mol)	172.63
MDL Number	MFCD00004920
SMILES	ClC(=S)OC1=CC=CC=C1
Synonym	o-phenyl carbonochloridothioate,phenyl chlorothionoformate,o-phenyl chlorothioformate,phenyl chlorothioformate,phenyl thioxochloroformate,phenyl chlorothionocarbonate,phenoxythiocarbonyl chloride,chlorothioformic acid phenyl ester,o-phenyl chlorothionoformate,o-phenyl chlorothiocarbonate
InChI Key	KOSYAAIZOGNATQ-UHFFFAOYSA-N
Molecular Formula	C7H5ClOS

1,4-Dimethoxybenzene, 98%

CAS: 150-78-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008401 InChI Key: OHBQPCCCRFSCAX-UHFFFAOYSA-N Synonym: p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9 PubChem CID: 9016 IUPAC Name: 1,4-dimethoxybenzene SMILES: COC1=CC=C(OC)C=C1

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PubChem CID	9016
CAS	150-78-7
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00008401
SMILES	COC1=CC=C(OC)C=C1
Synonym	p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9
IUPAC Name	1,4-dimethoxybenzene
InChI Key	OHBQPCCCRFSCAX-UHFFFAOYSA-N
Molecular Formula	C8H10O2

4-n-Octyloxybenzonitrile, 98%

CAS: 88374-55-4 Molecular Formula: C15H21NO Molecular Weight (g/mol): 231.339 MDL Number: MFCD00043483 InChI Key: GFNSBTARZPEIPN-UHFFFAOYSA-N Synonym: 4-n-octyloxybenzonitrile,p-octyloxybenzonitrile,4-octyloxy benzonitrile,4-octyloxybenzonitrile,p-octyloxy benzonitrile,4-octyloxybenzenecarbonitrile,4-n-octyloxycyanobenzene,4-octyloxy benzonitrile # PubChem CID: 145161 IUPAC Name: 4-octoxybenzonitrile SMILES: CCCCCCCCOC1=CC=C(C=C1)C#N

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PubChem CID	145161
CAS	88374-55-4
Molecular Weight (g/mol)	231.339
MDL Number	MFCD00043483
SMILES	CCCCCCCCOC1=CC=C(C=C1)C#N
Synonym	4-n-octyloxybenzonitrile,p-octyloxybenzonitrile,4-octyloxy benzonitrile,4-octyloxybenzonitrile,p-octyloxy benzonitrile,4-octyloxybenzenecarbonitrile,4-n-octyloxycyanobenzene,4-octyloxy benzonitrile #
IUPAC Name	4-octoxybenzonitrile
InChI Key	GFNSBTARZPEIPN-UHFFFAOYSA-N
Molecular Formula	C15H21NO

(3,4-Dimethoxyphenyl)acetic acid, 99%

CAS: 93-40-3 Molecular Formula: C₁₀H₁₂O₄ Molecular Weight (g/mol): 196.2 MDL Number: MFCD00004335 InChI Key: WUAXWQRULBZETB-UHFFFAOYSA-N Synonym: homoveratric acid,3,4-dimethoxyphenylacetic acid,3,4-dimethoxyphenyl acetic acid,2-3,4-dimethoxyphenyl acetic acid,benzeneacetic acid, 3,4-dimethoxy,3,4-dimethoxybenzeneacetic acid,3,4-dimethoxy-phenyl-acetic acid,acetic acid, 3,4-dimethoxyphenyl PubChem CID: 7139 ChEBI: CHEBI:86655 IUPAC Name: 2-(3,4-dimethoxyphenyl)acetic acid SMILES: COC1=C(C=C(C=C1)CC(=O)O)OC

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Specifications

PubChem CID	7139
CAS	93-40-3
Molecular Weight (g/mol)	196.2
ChEBI	CHEBI:86655
MDL Number	MFCD00004335
SMILES	COC1=C(C=C(C=C1)CC(=O)O)OC
Synonym	homoveratric acid,3,4-dimethoxyphenylacetic acid,3,4-dimethoxyphenyl acetic acid,2-3,4-dimethoxyphenyl acetic acid,benzeneacetic acid, 3,4-dimethoxy,3,4-dimethoxybenzeneacetic acid,3,4-dimethoxy-phenyl-acetic acid,acetic acid, 3,4-dimethoxyphenyl
IUPAC Name	2-(3,4-dimethoxyphenyl)acetic acid
InChI Key	WUAXWQRULBZETB-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O₄

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