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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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

4-n-Butoxybenzonitrile, 97%, Thermo Scientific™

CAS: 5203-14-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00043482 InChI Key: RRGQINKVTNAIBB-UHFFFAOYSA-N Synonym: p-butoxybenzonitrile,4-n-butoxybenzonitrile,benzonitrile, 4-butoxy,4-n-butoxy benzonitrile,4-butoxy-benzonitrile,4-butoxybenzenecarbonitrile,pubchem7926,acmc-209kxf,4-butoxybenzonitrile PubChem CID: 138435 IUPAC Name: 4-butoxybenzonitrile SMILES: CCCCOC1=CC=C(C=C1)C#N

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PubChem CID	138435
CAS	5203-14-5
Molecular Weight (g/mol)	175.231
MDL Number	MFCD00043482
SMILES	CCCCOC1=CC=C(C=C1)C#N
Synonym	p-butoxybenzonitrile,4-n-butoxybenzonitrile,benzonitrile, 4-butoxy,4-n-butoxy benzonitrile,4-butoxy-benzonitrile,4-butoxybenzenecarbonitrile,pubchem7926,acmc-209kxf,4-butoxybenzonitrile
IUPAC Name	4-butoxybenzonitrile
InChI Key	RRGQINKVTNAIBB-UHFFFAOYSA-N
Molecular Formula	C11H13NO

3,4-Dimethoxytoluene, 98%

CAS: 494-99-5 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00016651 InChI Key: GYPMBQZAVBFUIZ-UHFFFAOYSA-N Synonym: 3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol PubChem CID: 68126 IUPAC Name: 1,2-dimethoxy-4-methylbenzene SMILES: CC1=CC(=C(C=C1)OC)OC

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PubChem CID	68126
CAS	494-99-5
Molecular Weight (g/mol)	152.193
MDL Number	MFCD00016651
SMILES	CC1=CC(=C(C=C1)OC)OC
Synonym	3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol
IUPAC Name	1,2-dimethoxy-4-methylbenzene
InChI Key	GYPMBQZAVBFUIZ-UHFFFAOYSA-N
Molecular Formula	C9H12O2

Phenyl chlorothionocarbonate, 99%

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 IUPAC Name: O-phenyl chloromethanethioate 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
IUPAC Name	O-phenyl chloromethanethioate
InChI Key	KOSYAAIZOGNATQ-UHFFFAOYSA-N
Molecular Formula	C7H5ClOS

1,3-Dimethoxybenzene, 98%

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

2,4-Dimethoxyphenylacetic acid, 98%

CAS: 6496-89-5 Molecular Formula: C10H11O4 Molecular Weight (g/mol): 195.20 MDL Number: MFCD00183328 InChI Key: ZFXFMGARFHRTTO-UHFFFAOYSA-M PubChem CID: 350555 IUPAC Name: 2-(2,4-dimethoxyphenyl)acetic acid SMILES: COC1=CC=C(CC([O-])=O)C(OC)=C1

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PubChem CID	350555
CAS	6496-89-5
Molecular Weight (g/mol)	195.20
MDL Number	MFCD00183328
SMILES	COC1=CC=C(CC([O-])=O)C(OC)=C1
IUPAC Name	2-(2,4-dimethoxyphenyl)acetic acid
InChI Key	ZFXFMGARFHRTTO-UHFFFAOYSA-M
Molecular Formula	C10H11O4

Benzyl phenyl ether, 97%

CAS: 946-80-5 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.238 MDL Number: MFCD00020660 InChI Key: BOTNYLSAWDQNEX-UHFFFAOYSA-N Synonym: benzyl phenyl ether,benzyloxy benzene,phenyl benzyl ether,benzene, phenoxymethyl,ether, benzyl phenyl,benzylphenylether,benzyloxy-benzene,benzyloxybenzene,unii-bue863n0l8,.alpha.-phenylanisole PubChem CID: 70352 IUPAC Name: phenoxymethylbenzene SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2

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Specifications

PubChem CID	70352
CAS	946-80-5
Molecular Weight (g/mol)	184.238
MDL Number	MFCD00020660
SMILES	C1=CC=C(C=C1)COC2=CC=CC=C2
Synonym	benzyl phenyl ether,benzyloxy benzene,phenyl benzyl ether,benzene, phenoxymethyl,ether, benzyl phenyl,benzylphenylether,benzyloxy-benzene,benzyloxybenzene,unii-bue863n0l8,.alpha.-phenylanisole
IUPAC Name	phenoxymethylbenzene
InChI Key	BOTNYLSAWDQNEX-UHFFFAOYSA-N
Molecular Formula	C13H12O

Triphenyl phosphite, 99%

CAS: 101-02-0 Molecular Formula: C₁₈H₁₅O₃P Molecular Weight (g/mol): 310.28 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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PubChem CID	7540
CAS	101-02-0
Molecular Weight (g/mol)	310.28
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

(Trifluoromethoxy)benzene, 99%

CAS: 456-55-3 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.11 MDL Number: MFCD00040832 InChI Key: GQHWSLKNULCZGI-UHFFFAOYSA-N Synonym: trifluoromethoxy benzene,1-trifluoromethoxy benzene,benzene, trifluoromethoxy,phenyl trifluoromethyl ether,alpha,alpha,alpha-trifluoroanisole,trifluorophenoxymethane,pubchem7458,trifluoromethyloxybenzene,p-trifluoromethoxybenzene,trifluoromethoxy-benzene PubChem CID: 68010 IUPAC Name: trifluoromethoxybenzene SMILES: FC(F)(F)OC1=CC=CC=C1

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PubChem CID	68010
CAS	456-55-3
Molecular Weight (g/mol)	162.11
MDL Number	MFCD00040832
SMILES	FC(F)(F)OC1=CC=CC=C1
Synonym	trifluoromethoxy benzene,1-trifluoromethoxy benzene,benzene, trifluoromethoxy,phenyl trifluoromethyl ether,alpha,alpha,alpha-trifluoroanisole,trifluorophenoxymethane,pubchem7458,trifluoromethyloxybenzene,p-trifluoromethoxybenzene,trifluoromethoxy-benzene
IUPAC Name	trifluoromethoxybenzene
InChI Key	GQHWSLKNULCZGI-UHFFFAOYSA-N
Molecular Formula	C7H5F3O

Bambuterol hydrochloride, Thermo Scientific Chemicals

CAS: 81732-46-9 Molecular Formula: C18H30ClN3O5 Molecular Weight (g/mol): 403.90 MDL Number: MFCD03427293 InChI Key: LBARATORRVNNQM-UHFFFAOYNA-N IUPAC Name: hydrogen 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate chloride SMILES: [H+].[Cl-].CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C

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CAS	81732-46-9
Molecular Weight (g/mol)	403.90
MDL Number	MFCD03427293
SMILES	[H+].[Cl-].CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C
IUPAC Name	hydrogen 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate chloride
InChI Key	LBARATORRVNNQM-UHFFFAOYNA-N
Molecular Formula	C18H30ClN3O5

2,4,6-Triphenoxy-1,3,5-triazine, 96%, Thermo Scientific Chemicals

CAS: 1919-48-8 Molecular Formula: C21H15N3O3 Molecular Weight (g/mol): 357.37 MDL Number: MFCD00006048 InChI Key: IYDYVVVAQKFGBS-UHFFFAOYSA-N PubChem CID: 15973 IUPAC Name: 2,4,6-triphenoxy-1,3,5-triazine SMILES: O(C1=CC=CC=C1)C1=NC(OC2=CC=CC=C2)=NC(OC2=CC=CC=C2)=N1

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PubChem CID	15973
CAS	1919-48-8
Molecular Weight (g/mol)	357.37
MDL Number	MFCD00006048
SMILES	O(C1=CC=CC=C1)C1=NC(OC2=CC=CC=C2)=NC(OC2=CC=CC=C2)=N1
IUPAC Name	2,4,6-triphenoxy-1,3,5-triazine
InChI Key	IYDYVVVAQKFGBS-UHFFFAOYSA-N
Molecular Formula	C21H15N3O3

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

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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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-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid, 98%

CAS: 162401-62-9 Molecular Formula: C12H12F2O4 Molecular Weight (g/mol): 258.221 MDL Number: MFCD04621687 InChI Key: IGFDIFLMMLWKKY-UHFFFAOYSA-N Synonym: 3-cyclopropylmethoxy-4-difluoromethoxy benzoic acid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,benzoic acid, 3-cyclopropylmethoxy-4-difluoromethoxy,roflumilast intermediate,roflumilast intermediate b,3-cyclopropylmethoxy-4-difluoromethoxybenzoicacid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,3-cyclopropylmethoxy 4-difluoromethoxy benzoic acid PubChem CID: 2394006 IUPAC Name: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)O)OC(F)F

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Specifications

PubChem CID	2394006
CAS	162401-62-9
Molecular Weight (g/mol)	258.221
MDL Number	MFCD04621687
SMILES	C1CC1COC2=C(C=CC(=C2)C(=O)O)OC(F)F
Synonym	3-cyclopropylmethoxy-4-difluoromethoxy benzoic acid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,benzoic acid, 3-cyclopropylmethoxy-4-difluoromethoxy,roflumilast intermediate,roflumilast intermediate b,3-cyclopropylmethoxy-4-difluoromethoxybenzoicacid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,3-cyclopropylmethoxy 4-difluoromethoxy benzoic acid
IUPAC Name	3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid
InChI Key	IGFDIFLMMLWKKY-UHFFFAOYSA-N
Molecular Formula	C12H12F2O4

Phenyl dichlorophosphate, 99%

CAS: 770-12-7 Molecular Formula: C₆H₅Cl₂O₂P Molecular Weight (g/mol): 210.98 MDL Number: MFCD00002067 InChI Key: TXFOLHZMICYNRM-UHFFFAOYSA-N Synonym: phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester PubChem CID: 13038 IUPAC Name: dichlorophosphoryloxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(Cl)Cl

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PubChem CID	13038
CAS	770-12-7
Molecular Weight (g/mol)	210.98
MDL Number	MFCD00002067
SMILES	C1=CC=C(C=C1)OP(=O)(Cl)Cl
Synonym	phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester
IUPAC Name	dichlorophosphoryloxybenzene
InChI Key	TXFOLHZMICYNRM-UHFFFAOYSA-N
Molecular Formula	C₆H₅Cl₂O₂P

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