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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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

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tert-Butyl phenyl carbonate, 97%

CAS: 6627-89-0 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008804 InChI Key: UXWVQHXKKOGTSY-UHFFFAOYSA-N Synonym: t-butyl phenyl carbonate,tert-butylphenylcarbonate,2-methyl-2-propanyl phenyl carbonate,carbonic acid, 1,1-dimethylethyl phenyl ester,pubchem13300,acmc-209nuo,phenyl t-butyl carbonate,uxwvqhxkkogtsy-uhfffaoysa,tert-butyl phenyl carbonate,carbonic acid tert-butylphenyl ester PubChem CID: 81113 IUPAC Name: tert-butyl phenyl carbonate SMILES: CC(C)(C)OC(=O)OC1=CC=CC=C1

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PubChem CID	81113
CAS	6627-89-0
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00008804
SMILES	CC(C)(C)OC(=O)OC1=CC=CC=C1
Synonym	t-butyl phenyl carbonate,tert-butylphenylcarbonate,2-methyl-2-propanyl phenyl carbonate,carbonic acid, 1,1-dimethylethyl phenyl ester,pubchem13300,acmc-209nuo,phenyl t-butyl carbonate,uxwvqhxkkogtsy-uhfffaoysa,tert-butyl phenyl carbonate,carbonic acid tert-butylphenyl ester
IUPAC Name	tert-butyl phenyl carbonate
InChI Key	UXWVQHXKKOGTSY-UHFFFAOYSA-N
Molecular Formula	C11H14O3

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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

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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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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

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

2-Phenoxyethanol, BAKER™, J.T. Baker™

CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 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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Specifications

PubChem CID	31236
CAS	122-99-6
Molecular Weight (g/mol)	138.166
ChEBI	CHEBI:64275
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

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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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

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Triphenyl borate, 97%

CAS: 1095-03-0 Molecular Formula: C18H15BO3 Molecular Weight (g/mol): 290.125 MDL Number: MFCD00059011 InChI Key: MDCWDBMBZLORER-UHFFFAOYSA-N Synonym: triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester PubChem CID: 14182 IUPAC Name: triphenyl borate SMILES: B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3

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PubChem CID	14182
CAS	1095-03-0
Molecular Weight (g/mol)	290.125
MDL Number	MFCD00059011
SMILES	B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3
Synonym	triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester
IUPAC Name	triphenyl borate
InChI Key	MDCWDBMBZLORER-UHFFFAOYSA-N
Molecular Formula	C18H15BO3

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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

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1,3-Dimethoxybenzene, 99%

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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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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4-n-Decyloxybenzoic acid, 96%

CAS: 5519-23-3 Molecular Formula: C17H26O3 Molecular Weight (g/mol): 278.392 MDL Number: MFCD00020360 InChI Key: NZNICZRIRMGOFG-UHFFFAOYSA-N PubChem CID: 138527 IUPAC Name: 4-decoxybenzoic acid SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O

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PubChem CID	138527
CAS	5519-23-3
Molecular Weight (g/mol)	278.392
MDL Number	MFCD00020360
SMILES	CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O
IUPAC Name	4-decoxybenzoic acid
InChI Key	NZNICZRIRMGOFG-UHFFFAOYSA-N
Molecular Formula	C17H26O3

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4-Benzyloxybenzoic acid, 98%

CAS: 1486-51-7 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00016527 InChI Key: AQSCHALQLXXKKC-UHFFFAOYSA-N PubChem CID: 73880 IUPAC Name: 4-phenylmethoxybenzoic acid SMILES: OC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1

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PubChem CID	73880
CAS	1486-51-7
Molecular Weight (g/mol)	228.25
MDL Number	MFCD00016527
SMILES	OC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1
IUPAC Name	4-phenylmethoxybenzoic acid
InChI Key	AQSCHALQLXXKKC-UHFFFAOYSA-N
Molecular Formula	C14H12O3

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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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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

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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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

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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

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