Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.

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256 – 270 of 2,801 results

256

5,7-Dichloro-1-indanone, 97%

CAS: 448193-94-0 Molecular Formula: C9H6Cl2O Molecular Weight (g/mol): 201.05 MDL Number: MFCD09908160 InChI Key: TWNXYJNWNZZECV-UHFFFAOYSA-N Synonym: 5,7-dichloro-2,3-dihydro-1h-inden-1-one,5,7-dichloro-1-indanone,1h-inden-1-one, 5,7-dichloro-2,3-dihydro,5,7-dichloroindan-1-one,acmc-1asf2 PubChem CID: 22292346 SMILES: ClC1=CC(Cl)=C2C(=O)CCC2=C1

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Specifications

PubChem CID	22292346
CAS	448193-94-0
Molecular Weight (g/mol)	201.05
MDL Number	MFCD09908160
SMILES	ClC1=CC(Cl)=C2C(=O)CCC2=C1
Synonym	5,7-dichloro-2,3-dihydro-1h-inden-1-one,5,7-dichloro-1-indanone,1h-inden-1-one, 5,7-dichloro-2,3-dihydro,5,7-dichloroindan-1-one,acmc-1asf2
InChI Key	TWNXYJNWNZZECV-UHFFFAOYSA-N
Molecular Formula	C9H6Cl2O

257

Ethyl 4,4,4-trifluoro-2-methylacetoacetate, 96%

CAS: 344-00-3 Molecular Formula: C7H9F3O3 Molecular Weight (g/mol): 198.141 MDL Number: MFCD00190635 InChI Key: YLRGPBKEZVHOAW-UHFFFAOYSA-N Synonym: ethyl 2-methyl-4,4,4-trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-2-methyl-3-oxo-, ethyl ester,zlchem 125,acmc-20al0w,ethyl 2-methyltrifluoroacetoacetate,ethyl 2-methyl-4,4,4-trifluoro acetoacetate,ethyl alpha-methyl-4,4,4-trifluoroacetoacetate,ethyl4,4,4-trifluoro-2-methyl-3-oxobutanoate,ethyl 3-keto-2-methyl-4,4,4-trifluorobutanoate,ethyl 4,4,4-trifluoro-2-methyl-3-oxo-butanoate PubChem CID: 2737204 IUPAC Name: ethyl 4,4,4-trifluoro-2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C(F)(F)F

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Specifications

PubChem CID	2737204
CAS	344-00-3
Molecular Weight (g/mol)	198.141
MDL Number	MFCD00190635
SMILES	CCOC(=O)C(C)C(=O)C(F)(F)F
Synonym	ethyl 2-methyl-4,4,4-trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-2-methyl-3-oxo-, ethyl ester,zlchem 125,acmc-20al0w,ethyl 2-methyltrifluoroacetoacetate,ethyl 2-methyl-4,4,4-trifluoro acetoacetate,ethyl alpha-methyl-4,4,4-trifluoroacetoacetate,ethyl4,4,4-trifluoro-2-methyl-3-oxobutanoate,ethyl 3-keto-2-methyl-4,4,4-trifluorobutanoate,ethyl 4,4,4-trifluoro-2-methyl-3-oxo-butanoate
IUPAC Name	ethyl 4,4,4-trifluoro-2-methyl-3-oxobutanoate
InChI Key	YLRGPBKEZVHOAW-UHFFFAOYSA-N
Molecular Formula	C7H9F3O3

258

3',4',5'-Trimethoxyacetophenone, 99%

CAS: 1136-86-3 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00008738 InChI Key: VUGQIIQFXCXZJU-UHFFFAOYSA-N Synonym: 3',4',5'-trimethoxyacetophenone,1-3,4,5-trimethoxyphenyl ethanone,3,4,5-trimethoxyacetophenone,ethanone, 1-3,4,5-trimethoxyphenyl,1-3,4,5-trimethoxyphenyl ethan-1-one,3,4,5-trimethoxy acetophenone,pubchem22820,acmc-1c5os,3,5-trimethoxy acetophenone,1-acetyl-3,4,5-trimethoxybenzene PubChem CID: 14345 ChEBI: CHEBI:86547 IUPAC Name: 1-(3,4,5-trimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1OC)C(C)=O

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Specifications

PubChem CID	14345
CAS	1136-86-3
Molecular Weight (g/mol)	210.23
ChEBI	CHEBI:86547
MDL Number	MFCD00008738
SMILES	COC1=CC(=CC(OC)=C1OC)C(C)=O
Synonym	3',4',5'-trimethoxyacetophenone,1-3,4,5-trimethoxyphenyl ethanone,3,4,5-trimethoxyacetophenone,ethanone, 1-3,4,5-trimethoxyphenyl,1-3,4,5-trimethoxyphenyl ethan-1-one,3,4,5-trimethoxy acetophenone,pubchem22820,acmc-1c5os,3,5-trimethoxy acetophenone,1-acetyl-3,4,5-trimethoxybenzene
IUPAC Name	1-(3,4,5-trimethoxyphenyl)ethanone
InChI Key	VUGQIIQFXCXZJU-UHFFFAOYSA-N
Molecular Formula	C11H14O4

259

2-(Trimethylacetyl)thiophene, 98%

CAS: 20409-48-7 Molecular Formula: C9H12OS Molecular Weight (g/mol): 168.254 MDL Number: MFCD00051668 InChI Key: PMUOKYKJIKZPIR-UHFFFAOYSA-N Synonym: 2-trimethylacetyl thiophene,2,2-dimethyl-1-thiophen-2-yl propan-1-one,2,2-dimethyl-1-2-thienyl propan-1-one,2-pivaloylthiophene,t-butyl-2-thienylketone,acmc-1cb4m,2-2,2-dimethylpropionyl thiophene,2,2-dimethyl-1-thiophenyl-1-propanone,2.2-dimethyl-1-thiophenyl-1-propanone PubChem CID: 2776976 IUPAC Name: 2,2-dimethyl-1-thiophen-2-ylpropan-1-one SMILES: CC(C)(C)C(=O)C1=CC=CS1

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Specifications

PubChem CID	2776976
CAS	20409-48-7
Molecular Weight (g/mol)	168.254
MDL Number	MFCD00051668
SMILES	CC(C)(C)C(=O)C1=CC=CS1
Synonym	2-trimethylacetyl thiophene,2,2-dimethyl-1-thiophen-2-yl propan-1-one,2,2-dimethyl-1-2-thienyl propan-1-one,2-pivaloylthiophene,t-butyl-2-thienylketone,acmc-1cb4m,2-2,2-dimethylpropionyl thiophene,2,2-dimethyl-1-thiophenyl-1-propanone,2.2-dimethyl-1-thiophenyl-1-propanone
IUPAC Name	2,2-dimethyl-1-thiophen-2-ylpropan-1-one
InChI Key	PMUOKYKJIKZPIR-UHFFFAOYSA-N
Molecular Formula	C9H12OS

260

2'-Bromo-4'-fluoroacetophenone, 98%

CAS: 1006-39-9 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD00077464 InChI Key: RCXFSBRMWBFWMH-UHFFFAOYSA-N Synonym: 2'-bromo-4'-fluoroacetophenone,1-2-bromo-4-fluorophenyl ethanone,1-acetyl-2-bromo-4-fluorobenzene,1-2-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-2-bromo-4-fluorophenyl,1-2-bromo-4-fluoro-phenyl ethanone,pubchem8533,acmc-2097rj,ksc499c4r,timtec-bb sbb006561 PubChem CID: 2736304 IUPAC Name: 1-(2-bromo-4-fluorophenyl)ethanone SMILES: CC(=O)C1=C(Br)C=C(F)C=C1

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Specifications

PubChem CID	2736304
CAS	1006-39-9
Molecular Weight (g/mol)	217.04
MDL Number	MFCD00077464
SMILES	CC(=O)C1=C(Br)C=C(F)C=C1
Synonym	2'-bromo-4'-fluoroacetophenone,1-2-bromo-4-fluorophenyl ethanone,1-acetyl-2-bromo-4-fluorobenzene,1-2-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-2-bromo-4-fluorophenyl,1-2-bromo-4-fluoro-phenyl ethanone,pubchem8533,acmc-2097rj,ksc499c4r,timtec-bb sbb006561
IUPAC Name	1-(2-bromo-4-fluorophenyl)ethanone
InChI Key	RCXFSBRMWBFWMH-UHFFFAOYSA-N
Molecular Formula	C8H6BrFO

261

4'-Acetamido-2'-methylacetophenone, 97%

CAS: 34956-31-5 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD02258876 InChI Key: PTARWPNYVATTDE-UHFFFAOYSA-N Synonym: n-4-acetyl-3-methylphenyl acetamide,4'-acetamido-2'-methylacetophenone,4-acetamido-2-methylacetophenone,pubchem12562,4'-acetyl-3'-methylacetoanilide,n-4-acetyl-3-methyl-phenyl-acetamide,4\\'-acetamido-2\\'-methylacetophenone,n-4-ethanoyl-3-methyl-phenyl ethanamide,acetamide, n-4-acetyl-3-methylphenyl PubChem CID: 2737381 IUPAC Name: N-(4-acetyl-3-methylphenyl)acetamide SMILES: CC(=O)NC1=CC(C)=C(C=C1)C(C)=O

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Specifications

PubChem CID	2737381
CAS	34956-31-5
Molecular Weight (g/mol)	191.23
MDL Number	MFCD02258876
SMILES	CC(=O)NC1=CC(C)=C(C=C1)C(C)=O
Synonym	n-4-acetyl-3-methylphenyl acetamide,4'-acetamido-2'-methylacetophenone,4-acetamido-2-methylacetophenone,pubchem12562,4'-acetyl-3'-methylacetoanilide,n-4-acetyl-3-methyl-phenyl-acetamide,4\\'-acetamido-2\\'-methylacetophenone,n-4-ethanoyl-3-methyl-phenyl ethanamide,acetamide, n-4-acetyl-3-methylphenyl
IUPAC Name	N-(4-acetyl-3-methylphenyl)acetamide
InChI Key	PTARWPNYVATTDE-UHFFFAOYSA-N
Molecular Formula	C11H13NO2

262

4'-Cyclohexylacetophenone, 99%

CAS: 18594-05-3 Molecular Formula: C14H18O Molecular Weight (g/mol): 202.30 MDL Number: MFCD00001453 InChI Key: MSDQNIRGPBARGC-UHFFFAOYSA-N Synonym: 4'-cyclohexylacetophenone,1-4-cyclohexylphenyl ethanone,1-4-cyclohexylphenyl ethan-1-one,4-cyclohexylacetophenone,ethanone, 1-4-cyclohexylphenyl,1-acetyl-4-cyclohexylbenzene,p-cyclohexylacetophenone,acmc-209ena,4-cyclohexylace-tophenone,4'-cyclohexyl actephenone PubChem CID: 87715 SMILES: CC(=O)C1=CC=C(C=C1)C1CCCCC1

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Specifications

PubChem CID	87715
CAS	18594-05-3
Molecular Weight (g/mol)	202.30
MDL Number	MFCD00001453
SMILES	CC(=O)C1=CC=C(C=C1)C1CCCCC1
Synonym	4'-cyclohexylacetophenone,1-4-cyclohexylphenyl ethanone,1-4-cyclohexylphenyl ethan-1-one,4-cyclohexylacetophenone,ethanone, 1-4-cyclohexylphenyl,1-acetyl-4-cyclohexylbenzene,p-cyclohexylacetophenone,acmc-209ena,4-cyclohexylace-tophenone,4'-cyclohexyl actephenone
InChI Key	MSDQNIRGPBARGC-UHFFFAOYSA-N
Molecular Formula	C14H18O

263

L-(-)-Sorbose, ≥98%, For HPLC analysis, MP Biomedicals™

CAS: 87-79-6 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N Synonym: l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose PubChem CID: 6904 ChEBI: CHEBI:13172 IUPAC Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

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Specifications

PubChem CID	6904
CAS	87-79-6
Molecular Weight (g/mol)	180.156
ChEBI	CHEBI:13172
SMILES	C(C(C(C(C(=O)CO)O)O)O)O
Synonym	l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose
IUPAC Name	(3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key	BJHIKXHVCXFQLS-OTWZMJIISA-N
Molecular Formula	C6H12O6

264

1-(3-Chloro-2-hydroxyphenyl)ethan-1-one, 97%, Thermo Scientific™

CAS: 3226-34-4 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00100492 InChI Key: GBWVDQBTXFIIJF-UHFFFAOYSA-N Synonym: 1-3-chloro-2-hydroxyphenyl ethanone,1-3-chloro-2-hydroxyphenyl ethan-1-one,3'-chloro-2'-hydroxyacetophenone,ethanone,1-3-chloro-2-hydroxyphenyl,2'-hydroxy-3'-chloroacetophenone,2'-hydroxy-3'-chloro acetophenone,1-3-chloro-2-hydroxyphenyl-ethanone,1-3-chloro-2-hydroxy-phenyl-ethanone,1-3-chloro-2-hydroxyphenyl ethanone #,2 inverted exclamation mark-hydroxy-3-chloroacetophenone PubChem CID: 593414 IUPAC Name: 1-(3-chloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C(Cl)=CC=C1

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Specifications

PubChem CID	593414
CAS	3226-34-4
Molecular Weight (g/mol)	170.59
MDL Number	MFCD00100492
SMILES	CC(=O)C1=C(O)C(Cl)=CC=C1
Synonym	1-3-chloro-2-hydroxyphenyl ethanone,1-3-chloro-2-hydroxyphenyl ethan-1-one,3'-chloro-2'-hydroxyacetophenone,ethanone,1-3-chloro-2-hydroxyphenyl,2'-hydroxy-3'-chloroacetophenone,2'-hydroxy-3'-chloro acetophenone,1-3-chloro-2-hydroxyphenyl-ethanone,1-3-chloro-2-hydroxy-phenyl-ethanone,1-3-chloro-2-hydroxyphenyl ethanone #,2 inverted exclamation mark-hydroxy-3-chloroacetophenone
IUPAC Name	1-(3-chloro-2-hydroxyphenyl)ethanone
InChI Key	GBWVDQBTXFIIJF-UHFFFAOYSA-N
Molecular Formula	C8H7ClO2

265

2-Bromo-3'-chloroacetophenone, 97%, Thermo Scientific Chemicals

CAS: 41011-01-2 Molecular Formula: C8H6BrClO Molecular Weight (g/mol): 233.489 MDL Number: MFCD00792669 InChI Key: KJVRURZDIOVSSQ-UHFFFAOYSA-N Synonym: 2-bromo-1-3-chlorophenyl ethanone,3-chlorophenacyl bromide,2-bromo-3'-chloroacetophenone,2-bromo-1-3-chlorophenyl ethan-1-one,2-bromo-1-3-chlorophenyl-1-ethanone,chlorophenacyl bromide,3-chlorophenacylbromide,3'-chlorophenacyl bromide,unii-n62718dtbs,ethanone, 2-bromo-1-3-chlorophenyl PubChem CID: 38738 IUPAC Name: 2-bromo-1-(3-chlorophenyl)ethanone SMILES: C1=CC(=CC(=C1)Cl)C(=O)CBr

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Specifications

PubChem CID	38738
CAS	41011-01-2
Molecular Weight (g/mol)	233.489
MDL Number	MFCD00792669
SMILES	C1=CC(=CC(=C1)Cl)C(=O)CBr
Synonym	2-bromo-1-3-chlorophenyl ethanone,3-chlorophenacyl bromide,2-bromo-3'-chloroacetophenone,2-bromo-1-3-chlorophenyl ethan-1-one,2-bromo-1-3-chlorophenyl-1-ethanone,chlorophenacyl bromide,3-chlorophenacylbromide,3'-chlorophenacyl bromide,unii-n62718dtbs,ethanone, 2-bromo-1-3-chlorophenyl
IUPAC Name	2-bromo-1-(3-chlorophenyl)ethanone
InChI Key	KJVRURZDIOVSSQ-UHFFFAOYSA-N
Molecular Formula	C8H6BrClO

266

Emodin

CAS: 518-82-1 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00001207 InChI Key: RHMXXJGYXNZAPX-UHFFFAOYSA-N Synonym: emodin,schuttgelb,emodol,frangula emodin,rheum emodin,frangulic acid,3-methyl-1,6,8-trihydroxyanthraquinone,archin,persian berry lake,1,3,8-trihydroxy-6-methyl-9,10-anthraquinone PubChem CID: 3220 ChEBI: CHEBI:42223 IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O

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Specifications

PubChem CID	3220
CAS	518-82-1
Molecular Weight (g/mol)	270.24
ChEBI	CHEBI:42223
MDL Number	MFCD00001207
SMILES	CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O
Synonym	emodin,schuttgelb,emodol,frangula emodin,rheum emodin,frangulic acid,3-methyl-1,6,8-trihydroxyanthraquinone,archin,persian berry lake,1,3,8-trihydroxy-6-methyl-9,10-anthraquinone
IUPAC Name	1,3,8-trihydroxy-6-methylanthracene-9,10-dione
InChI Key	RHMXXJGYXNZAPX-UHFFFAOYSA-N
Molecular Formula	C15H10O5

267

3-Chloro-4'-fluoropropiophenone, 97%

CAS: 347-93-3 Molecular Formula: C9H8ClFO Molecular Weight (g/mol): 186.61 MDL Number: MFCD00000991 InChI Key: AAHQPLJUSLMHHR-UHFFFAOYSA-N Synonym: 3-chloro-4'-fluoropropiophenone,3-chloro-1-4-fluorophenyl propan-1-one,3-chloro-1-4-fluorophenyl-1-propanone,1-propanone, 3-chloro-1-4-fluorophenyl,p-fluoro-,a-chloropropiophenone,pubchem13250,acmc-1ctxg,ksc573a4j,3-chloro-4'fluoropropiophenone,3-chloro4'-fluoropropiophenone PubChem CID: 67672 IUPAC Name: 3-chloro-1-(4-fluorophenyl)propan-1-one SMILES: C1=CC(=CC=C1C(=O)CCCl)F

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Specifications

PubChem CID	67672
CAS	347-93-3
Molecular Weight (g/mol)	186.61
MDL Number	MFCD00000991
SMILES	C1=CC(=CC=C1C(=O)CCCl)F
Synonym	3-chloro-4'-fluoropropiophenone,3-chloro-1-4-fluorophenyl propan-1-one,3-chloro-1-4-fluorophenyl-1-propanone,1-propanone, 3-chloro-1-4-fluorophenyl,p-fluoro-,a-chloropropiophenone,pubchem13250,acmc-1ctxg,ksc573a4j,3-chloro-4'fluoropropiophenone,3-chloro4'-fluoropropiophenone
IUPAC Name	3-chloro-1-(4-fluorophenyl)propan-1-one
InChI Key	AAHQPLJUSLMHHR-UHFFFAOYSA-N
Molecular Formula	C9H8ClFO

268

2,2'-Thenil, 98%

CAS: 7333-07-5 Molecular Formula: C10H6O2S2 Molecular Weight (g/mol): 222.28 MDL Number: MFCD00173678 InChI Key: UNWKVSDABPCZMK-UHFFFAOYSA-N Synonym: 2,2'-thenil,1,2-di thiophen-2-yl ethane-1,2-dione,bis thiophen-2-yl ethane-1,2-dione,ethanedione, di-2-thienyl,1,2-di 2-thienyl-1,2-ethanedione,1,2-di 2-thienyl ethane-1,2-dione,1,2-di-thiophen-2-yl-ethane-1,2-dione,5-alpha-thenil,dithienylethanedione,2,2'-bithenoyl PubChem CID: 275005 IUPAC Name: 1,2-dithiophen-2-ylethane-1,2-dione SMILES: C1=CSC(=C1)C(=O)C(=O)C2=CC=CS2

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Specifications

PubChem CID	275005
CAS	7333-07-5
Molecular Weight (g/mol)	222.28
MDL Number	MFCD00173678
SMILES	C1=CSC(=C1)C(=O)C(=O)C2=CC=CS2
Synonym	2,2'-thenil,1,2-di thiophen-2-yl ethane-1,2-dione,bis thiophen-2-yl ethane-1,2-dione,ethanedione, di-2-thienyl,1,2-di 2-thienyl-1,2-ethanedione,1,2-di 2-thienyl ethane-1,2-dione,1,2-di-thiophen-2-yl-ethane-1,2-dione,5-alpha-thenil,dithienylethanedione,2,2'-bithenoyl
IUPAC Name	1,2-dithiophen-2-ylethane-1,2-dione
InChI Key	UNWKVSDABPCZMK-UHFFFAOYSA-N
Molecular Formula	C10H6O2S2

269

Valerophenone, 98%

CAS: 1009-14-9 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00009480 InChI Key: XKGLSKVNOSHTAD-UHFFFAOYSA-N Synonym: valerophenone,butyl phenyl ketone,pentanophenone,1-phenyl-1-pentanone,1-pentanone, 1-phenyl,unii-f27q043nt1,n-butyl phenyl ketone,1-benzoylbutane,valerophenone, 8ci PubChem CID: 66093 ChEBI: CHEBI:36812 IUPAC Name: 1-phenylpentan-1-one SMILES: CCCCC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	66093
CAS	1009-14-9
Molecular Weight (g/mol)	162.23
ChEBI	CHEBI:36812
MDL Number	MFCD00009480
SMILES	CCCCC(=O)C1=CC=CC=C1
Synonym	valerophenone,butyl phenyl ketone,pentanophenone,1-phenyl-1-pentanone,1-pentanone, 1-phenyl,unii-f27q043nt1,n-butyl phenyl ketone,1-benzoylbutane,valerophenone, 8ci
IUPAC Name	1-phenylpentan-1-one
InChI Key	XKGLSKVNOSHTAD-UHFFFAOYSA-N
Molecular Formula	C11H14O

270

Hexanophenone, 98%

CAS: 942-92-7 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 MDL Number: MFCD00009512 InChI Key: MAHPVQDVMLWUAG-UHFFFAOYSA-N Synonym: hexanophenone,caprophenone,1-hexanone, 1-phenyl,1-phenyl-1-hexanone,n-hexanophenone,amyl phenyl ketone,hexaphenone,pentyl phenyl ketone,4-ethylbutyrophenone,n-amylphenyl ketone PubChem CID: 70337 IUPAC Name: 1-phenylhexan-1-one SMILES: CCCCCC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	70337
CAS	942-92-7
Molecular Weight (g/mol)	176.26
MDL Number	MFCD00009512
SMILES	CCCCCC(=O)C1=CC=CC=C1
Synonym	hexanophenone,caprophenone,1-hexanone, 1-phenyl,1-phenyl-1-hexanone,n-hexanophenone,amyl phenyl ketone,hexaphenone,pentyl phenyl ketone,4-ethylbutyrophenone,n-amylphenyl ketone
IUPAC Name	1-phenylhexan-1-one
InChI Key	MAHPVQDVMLWUAG-UHFFFAOYSA-N
Molecular Formula	C12H16O

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