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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2-Phenoxyethanol, 94%

CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO

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PubChem CID	31236
CAS	122-99-6
Molecular Weight (g/mol)	138.166
ChEBI	CHEBI:64275
MDL Number	MFCD00002857
SMILES	C1=CC=C(C=C1)OCCO
Synonym	phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
IUPAC Name	2-phenoxyethanol
InChI Key	QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula	C8H10O2

Veratrole, 99%

CAS: 91-16-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00008357 InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N Synonym: veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy PubChem CID: 7043 ChEBI: CHEBI:59114 IUPAC Name: 1,2-dimethoxybenzene SMILES: COC1=CC=CC=C1OC

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PubChem CID	7043
CAS	91-16-7
Molecular Weight (g/mol)	138.166
ChEBI	CHEBI:59114
MDL Number	MFCD00008357
SMILES	COC1=CC=CC=C1OC
Synonym	veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy
IUPAC Name	1,2-dimethoxybenzene
InChI Key	ABDKAPXRBAPSQN-UHFFFAOYSA-N
Molecular Formula	C8H10O2

2-Phenoxyethanol, 99%

CAS: 122-99-6 Molecular Formula: C₈H₁₀O₂ Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO

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PubChem CID	31236
CAS	122-99-6
Molecular Weight (g/mol)	138.17
ChEBI	CHEBI:64275
MDL Number	MFCD00002857
SMILES	C1=CC=C(C=C1)OCCO
Synonym	phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
IUPAC Name	2-phenoxyethanol
InChI Key	QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀O₂

Triphenyl phosphite, 97%

CAS: 101-02-0 Molecular Formula: C18H15O3P Molecular Weight (g/mol): 310.289 MDL Number: MFCD00003032 InChI Key: HVLLSGMXQDNUAL-UHFFFAOYSA-N Synonym: phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 PubChem CID: 7540 IUPAC Name: triphenyl phosphite SMILES: C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3

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Specifications

PubChem CID	7540
CAS	101-02-0
Molecular Weight (g/mol)	310.289
MDL Number	MFCD00003032
SMILES	C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3
Synonym	phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310
IUPAC Name	triphenyl phosphite
InChI Key	HVLLSGMXQDNUAL-UHFFFAOYSA-N
Molecular Formula	C18H15O3P

2,6-Dimethoxybenzoic acid, 99%

CAS: 1466-76-8 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002437 InChI Key: MBIZFBDREVRUHY-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 PubChem CID: 15109 IUPAC Name: 2,6-dimethoxybenzoic acid SMILES: COC1=CC=CC(OC)=C1C(O)=O

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PubChem CID	15109
CAS	1466-76-8
Molecular Weight (g/mol)	182.18
MDL Number	MFCD00002437
SMILES	COC1=CC=CC(OC)=C1C(O)=O
Synonym	benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043
IUPAC Name	2,6-dimethoxybenzoic acid
InChI Key	MBIZFBDREVRUHY-UHFFFAOYSA-N
Molecular Formula	C9H10O4

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

Neostigmine bromide

CAS: 114-80-7 Molecular Formula: C12H19BrN2O2 Molecular Weight (g/mol): 303.20 MDL Number: MFCD00011795 InChI Key: LULNWZDBKTWDGK-UHFFFAOYSA-M Synonym: neostigmine bromide,neo-proserin,eustigmin bromide,neoserine bromide,proserine bromide,stigmanol bromide,synstigmin bromide,leostigmine bromide,kirkstigmine bromide,philostigmin bromide PubChem CID: 8246 ChEBI: CHEBI:179557 IUPAC Name: 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide SMILES: [Br-].CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C

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Specifications

PubChem CID	8246
CAS	114-80-7
Molecular Weight (g/mol)	303.20
ChEBI	CHEBI:179557
MDL Number	MFCD00011795
SMILES	[Br-].CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
Synonym	neostigmine bromide,neo-proserin,eustigmin bromide,neoserine bromide,proserine bromide,stigmanol bromide,synstigmin bromide,leostigmine bromide,kirkstigmine bromide,philostigmin bromide
IUPAC Name	3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide
InChI Key	LULNWZDBKTWDGK-UHFFFAOYSA-M
Molecular Formula	C12H19BrN2O2

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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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

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

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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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

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-Ethoxybenzoic acid, 98+%

CAS: 619-86-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002545 InChI Key: SHSGDXCJYVZFTP-UHFFFAOYSA-N Synonym: p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid PubChem CID: 12093 IUPAC Name: 4-ethoxybenzoic acid SMILES: CCOC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	12093
CAS	619-86-3
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00002545
SMILES	CCOC1=CC=C(C=C1)C(=O)O
Synonym	p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid
IUPAC Name	4-ethoxybenzoic acid
InChI Key	SHSGDXCJYVZFTP-UHFFFAOYSA-N
Molecular Formula	C9H10O3

3,4-Dimethoxybenzonitrile, 98+%

CAS: 2024-83-1 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00001802 InChI Key: OSEQIDSFSBWXRE-UHFFFAOYSA-N Synonym: veratronitrile,4-cyanoveratrole,3,4-dimethoxy-benzonitrile,4-cyano-1,2-dimethoxybenzene,1-cyano-3,4-dimethoxylbenzene,3,4-dimethoxybenzoic acid nitrile,3,4-dimethoxyphenyl cyanide,benzonitrile,4-dimethoxy,3,4-dimethoxybenzenecarbonitrile,3-cyanoveratrole PubChem CID: 74842 IUPAC Name: 3,4-dimethoxybenzonitrile SMILES: COC1=CC=C(C=C1OC)C#N

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Specifications

PubChem CID	74842
CAS	2024-83-1
Molecular Weight (g/mol)	163.18
MDL Number	MFCD00001802
SMILES	COC1=CC=C(C=C1OC)C#N
Synonym	veratronitrile,4-cyanoveratrole,3,4-dimethoxy-benzonitrile,4-cyano-1,2-dimethoxybenzene,1-cyano-3,4-dimethoxylbenzene,3,4-dimethoxybenzoic acid nitrile,3,4-dimethoxyphenyl cyanide,benzonitrile,4-dimethoxy,3,4-dimethoxybenzenecarbonitrile,3-cyanoveratrole
IUPAC Name	3,4-dimethoxybenzonitrile
InChI Key	OSEQIDSFSBWXRE-UHFFFAOYSA-N
Molecular Formula	C9H9NO2

2-Chlorophenyl phosphorodichloridate, 98+%

CAS: 15074-54-1 Molecular Formula: C6H4Cl3O2P Molecular Weight (g/mol): 245.42 MDL Number: MFCD00009704 InChI Key: VLDPXPPHXDGHEW-UHFFFAOYSA-N Synonym: 2-chlorophenyl phosphorodichloridate,2-chlorophenyl dichlorophosphate,o-chlorophenyl dichlorophosphate,phosphorodichloridic acid, 2-chlorophenyl ester,o-chlorophenyl phosphorodichloridate,2-chlorophenyl phosphoric acid dichloride,2-chlorophenyl chlorophosphonochloridate,acmc-20anxn,o-chlorophenylphosphonyl dichloride,2-chlorophenyl dichloridophosphate # PubChem CID: 84775 IUPAC Name: 1-chloro-2-dichlorophosphoryloxybenzene SMILES: C1=CC=C(C(=C1)OP(=O)(Cl)Cl)Cl

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Specifications

PubChem CID	84775
CAS	15074-54-1
Molecular Weight (g/mol)	245.42
MDL Number	MFCD00009704
SMILES	C1=CC=C(C(=C1)OP(=O)(Cl)Cl)Cl
Synonym	2-chlorophenyl phosphorodichloridate,2-chlorophenyl dichlorophosphate,o-chlorophenyl dichlorophosphate,phosphorodichloridic acid, 2-chlorophenyl ester,o-chlorophenyl phosphorodichloridate,2-chlorophenyl phosphoric acid dichloride,2-chlorophenyl chlorophosphonochloridate,acmc-20anxn,o-chlorophenylphosphonyl dichloride,2-chlorophenyl dichloridophosphate #
IUPAC Name	1-chloro-2-dichlorophosphoryloxybenzene
InChI Key	VLDPXPPHXDGHEW-UHFFFAOYSA-N
Molecular Formula	C6H4Cl3O2P

Phenyl phosphorodiamidate, 97%

CAS: 7450-69-3 Molecular Formula: C6H9N2O2P Molecular Weight (g/mol): 172.124 MDL Number: MFCD00014767 InChI Key: AYRRNFHDJUXLEQ-UHFFFAOYSA-N Synonym: phenyl phosphorodiamidate,phenylphosphorodiamidate,phenyl diamidophosphate,phosphorodiamidic acid, phenyl ester,diaminophosphoryl oxy benzene,phenylphosphorodiamidat,phosphoric phenyl ester diamide,phenyl phosphordiamidate,phenyl diamidophosphate #,diaminophenoxyphosphino-1-one PubChem CID: 81954 IUPAC Name: diaminophosphoryloxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(N)N

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Specifications

PubChem CID	81954
CAS	7450-69-3
Molecular Weight (g/mol)	172.124
MDL Number	MFCD00014767
SMILES	C1=CC=C(C=C1)OP(=O)(N)N
Synonym	phenyl phosphorodiamidate,phenylphosphorodiamidate,phenyl diamidophosphate,phosphorodiamidic acid, phenyl ester,diaminophosphoryl oxy benzene,phenylphosphorodiamidat,phosphoric phenyl ester diamide,phenyl phosphordiamidate,phenyl diamidophosphate #,diaminophenoxyphosphino-1-one
IUPAC Name	diaminophosphoryloxybenzene
InChI Key	AYRRNFHDJUXLEQ-UHFFFAOYSA-N
Molecular Formula	C6H9N2O2P

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