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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Acetophenone, 98%, pure

CAS: 98-86-2 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	7410
CAS	98-86-2
ChEBI	CHEBI:27632
MDL Number	MFCD00008724
SMILES	CC(=O)C1=CC=CC=C1
Synonym	acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol
IUPAC Name	1-phenylethanone
InChI Key	KWOLFJPFCHCOCG-UHFFFAOYSA-N

4'-Methoxypropiophenone, 99%

CAS: 121-97-1 Molecular Formula: C₁₀H₁₂O₂ Molecular Weight (g/mol): 164.2 MDL Number: MFCD00009310 InChI Key: ZJVAWPKTWVFKHG-UHFFFAOYSA-N PubChem CID: 67144 IUPAC Name: 1-(4-methoxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)OC

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Specifications

PubChem CID	67144
CAS	121-97-1
Molecular Weight (g/mol)	164.2
MDL Number	MFCD00009310
SMILES	CCC(=O)C1=CC=C(C=C1)OC
IUPAC Name	1-(4-methoxyphenyl)propan-1-one
InChI Key	ZJVAWPKTWVFKHG-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O₂

3-(3-Chlorophenyl)-3-oxopropanenitrile, 97%, Thermo Scientific™

CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N

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Specifications

PubChem CID	140855
CAS	21667-62-9
Molecular Weight (g/mol)	179.60
MDL Number	MFCD00067891
SMILES	ClC1=CC=CC(=C1)C(=O)CC#N
Synonym	3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670
IUPAC Name	3-(3-chlorophenyl)-3-oxopropanenitrile
InChI Key	IUDFNNHFARLIPF-UHFFFAOYSA-N
Molecular Formula	C9H6ClNO

(4-Bromophenyl)cyclopropylmethanone, 95%

CAS: 6952-89-2 MDL Number: MFCD00019227 InChI Key: QTHHOINSCNBYQO-UHFFFAOYSA-N Synonym: 4-bromophenyl cyclopropyl methanone,4-bromophenyl cyclopropyl ketone,4-bromophenyl cyclopropylmethanone,methanone, 4-bromophenyl cyclopropyl,4-bromo-cyclopropylcarbonylbenzene,acmc-1bag8,4-bromobenzoyl cyclopropane,bromophenylcyclopropylmethanone PubChem CID: 81394 IUPAC Name: (4-bromophenyl)-cyclopropylmethanone SMILES: C1CC1C(=O)C2=CC=C(C=C2)Br

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Specifications

PubChem CID	81394
CAS	6952-89-2
MDL Number	MFCD00019227
SMILES	C1CC1C(=O)C2=CC=C(C=C2)Br
Synonym	4-bromophenyl cyclopropyl methanone,4-bromophenyl cyclopropyl ketone,4-bromophenyl cyclopropylmethanone,methanone, 4-bromophenyl cyclopropyl,4-bromo-cyclopropylcarbonylbenzene,acmc-1bag8,4-bromobenzoyl cyclopropane,bromophenylcyclopropylmethanone
IUPAC Name	(4-bromophenyl)-cyclopropylmethanone
InChI Key	QTHHOINSCNBYQO-UHFFFAOYSA-N

1,1,1-Trifluoropentane-2,4-dione, ≥95%, Thermo Scientific™

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1-[4-(3-Bromothien-2-yl)phenyl]ethanone, 97%, Thermo Scientific™

CAS: 937796-01-5 Molecular Formula: C12H9BrOS Molecular Weight (g/mol): 281.167 MDL Number: MFCD09879973 InChI Key: AMADTVLVNSCDKW-UHFFFAOYSA-N Synonym: 1-4-3-bromothien-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethan-1-one,4'-3-bromothien-2-yl acetophenone PubChem CID: 24229756 IUPAC Name: 1-[4-(3-bromothiophen-2-yl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=C(C=CS2)Br

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Specifications

PubChem CID	24229756
CAS	937796-01-5
Molecular Weight (g/mol)	281.167
MDL Number	MFCD09879973
SMILES	CC(=O)C1=CC=C(C=C1)C2=C(C=CS2)Br
Synonym	1-4-3-bromothien-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethan-1-one,4'-3-bromothien-2-yl acetophenone
IUPAC Name	1-[4-(3-bromothiophen-2-yl)phenyl]ethanone
InChI Key	AMADTVLVNSCDKW-UHFFFAOYSA-N
Molecular Formula	C12H9BrOS

3-(3-Methylphenyl)-3-oxopropanenitrile, 97%, Thermo Scientific™

CAS: 53882-81-8 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00067922 InChI Key: IVLKDYOTZMFMLO-UHFFFAOYSA-N Synonym: 3-methylbenzoylacetonitrile,3-3-methylphenyl-3-oxopropanenitrile,3-toluoylacetonitrile,m-toluoylacetonitrile,3-oxo-3-m-tolyl propanenitrile,3-oxo-3-m-tolylpropanenitrile,pubchem12073,maybridge1_004502,acmc-1alb6,3-m-tolyl-3-oxo-propanenitrile PubChem CID: 143105 IUPAC Name: 3-(3-methylphenyl)-3-oxopropanenitrile SMILES: CC1=CC=CC(=C1)C(=O)CC#N

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Specifications

PubChem CID	143105
CAS	53882-81-8
Molecular Weight (g/mol)	159.188
MDL Number	MFCD00067922
SMILES	CC1=CC=CC(=C1)C(=O)CC#N
Synonym	3-methylbenzoylacetonitrile,3-3-methylphenyl-3-oxopropanenitrile,3-toluoylacetonitrile,m-toluoylacetonitrile,3-oxo-3-m-tolyl propanenitrile,3-oxo-3-m-tolylpropanenitrile,pubchem12073,maybridge1_004502,acmc-1alb6,3-m-tolyl-3-oxo-propanenitrile
IUPAC Name	3-(3-methylphenyl)-3-oxopropanenitrile
InChI Key	IVLKDYOTZMFMLO-UHFFFAOYSA-N
Molecular Formula	C10H9NO

1-(2-Chloropyridin-4-yl)ethanone, 97%, Thermo Scientific™

CAS: 23794-15-2 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.581 MDL Number: MFCD07699406 InChI Key: ZJCGPQZERFBGSM-UHFFFAOYSA-N Synonym: 1-2-chloropyridin-4-yl ethanone,2-chloro-4-acetylpyridine,4-acetyl-2-chloropyridine,1-2-chloropyridine-4-yl ethanone,1-2-chloropyridin-4-yl ethan-1-one,1-2-chloro-pyridin-4-yl-ethanone,1-2-chloro-4-pyridinyl-1-ethanone,ethanone, 1-2-chloro-4-pyridinyl,1-2-chloro-4-pyridyl ethanone,1-2-chloro-4-pyridinyl ethanone PubChem CID: 13145255 IUPAC Name: 1-(2-chloropyridin-4-yl)ethanone SMILES: CC(=O)C1=CC(=NC=C1)Cl

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Specifications

PubChem CID	13145255
CAS	23794-15-2
Molecular Weight (g/mol)	155.581
MDL Number	MFCD07699406
SMILES	CC(=O)C1=CC(=NC=C1)Cl
Synonym	1-2-chloropyridin-4-yl ethanone,2-chloro-4-acetylpyridine,4-acetyl-2-chloropyridine,1-2-chloropyridine-4-yl ethanone,1-2-chloropyridin-4-yl ethan-1-one,1-2-chloro-pyridin-4-yl-ethanone,1-2-chloro-4-pyridinyl-1-ethanone,ethanone, 1-2-chloro-4-pyridinyl,1-2-chloro-4-pyridyl ethanone,1-2-chloro-4-pyridinyl ethanone
IUPAC Name	1-(2-chloropyridin-4-yl)ethanone
InChI Key	ZJCGPQZERFBGSM-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO

(4-Chlorophenyl)(4-piperidyl)methanone hydrochloride, 95%, Thermo Scientific™

CAS: 55695-51-7 Molecular Formula: C12H15ClNO Molecular Weight (g/mol): 224.71 MDL Number: MFCD00053028 InChI Key: IYGWDOXHCPQXKN-UHFFFAOYSA-O Synonym: 4-chlorophenyl piperidin-4-yl methanone hydrochloride,4-4-chlorobenzoyl piperidine hydrochloride,4-chlorophenyl 4-piperidyl methanone hydrochloride,4-chlorophenyl 4-piperidinyl methanone hydrochloride,4-p-chlorobenzoyl piperidine hydrochloride,4-4-chlorophenyl carbonyl piperidine hydrochloride,methanone, 4-chlorophenyl-4-piperidinyl-, hydrochloride,4-chlorophenyl 4-piperidinyl methanonehydrochloride,bestipharma 579-258,4-4-chlorobenzoyl piperidine hcl PubChem CID: 2777114 IUPAC Name: (4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride SMILES: ClC1=CC=C(C=C1)C(=O)C1CC[NH2+]CC1

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Specifications

PubChem CID	2777114
CAS	55695-51-7
Molecular Weight (g/mol)	224.71
MDL Number	MFCD00053028
SMILES	ClC1=CC=C(C=C1)C(=O)C1CC[NH2+]CC1
Synonym	4-chlorophenyl piperidin-4-yl methanone hydrochloride,4-4-chlorobenzoyl piperidine hydrochloride,4-chlorophenyl 4-piperidyl methanone hydrochloride,4-chlorophenyl 4-piperidinyl methanone hydrochloride,4-p-chlorobenzoyl piperidine hydrochloride,4-4-chlorophenyl carbonyl piperidine hydrochloride,methanone, 4-chlorophenyl-4-piperidinyl-, hydrochloride,4-chlorophenyl 4-piperidinyl methanonehydrochloride,bestipharma 579-258,4-4-chlorobenzoyl piperidine hcl
IUPAC Name	(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
InChI Key	IYGWDOXHCPQXKN-UHFFFAOYSA-O
Molecular Formula	C12H15ClNO

3-Oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile, 97%, Thermo Scientific™

CAS: 122454-46-0 Molecular Formula: C10H6F3NO2 Molecular Weight (g/mol): 229.16 MDL Number: MFCD00052146 InChI Key: IYZQGBBCANKWMX-UHFFFAOYSA-N Synonym: 3-oxo-3-4-trifluoromethoxy phenyl propanenitrile,4-trifluoromethoxy benzoyl acetonitrile,4-trifluoromethoxy benzoylacetonitrile,4-trifluoromethoxybenzoyl acetonitrile,3-oxo-3-4-trifluoromethoxy phenyl propionitrile,benzenepropanenitrile, beta-oxo-4-trifluoromethoxy,maybridge1_004897,acmc-1bxb1 PubChem CID: 2777239 IUPAC Name: 3-oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile SMILES: FC(F)(F)OC1=CC=C(C=C1)C(=O)CC#N

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Specifications

PubChem CID	2777239
CAS	122454-46-0
Molecular Weight (g/mol)	229.16
MDL Number	MFCD00052146
SMILES	FC(F)(F)OC1=CC=C(C=C1)C(=O)CC#N
Synonym	3-oxo-3-4-trifluoromethoxy phenyl propanenitrile,4-trifluoromethoxy benzoyl acetonitrile,4-trifluoromethoxy benzoylacetonitrile,4-trifluoromethoxybenzoyl acetonitrile,3-oxo-3-4-trifluoromethoxy phenyl propionitrile,benzenepropanenitrile, beta-oxo-4-trifluoromethoxy,maybridge1_004897,acmc-1bxb1
IUPAC Name	3-oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile
InChI Key	IYZQGBBCANKWMX-UHFFFAOYSA-N
Molecular Formula	C10H6F3NO2

1-(6-Chloro-3-pyridinyl)-1-ethanone, 90%, Thermo Scientific™

CAS: 55676-22-7 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.58 MDL Number: MFCD03407343 InChI Key: UXSNZYGTQTXRAD-UHFFFAOYSA-N Synonym: 1-6-chloropyridin-3-yl ethanone,2-chloro-5-acetylpyridine,3-acetyl-6-chloropyridine,5-acetyl-2-chloropyridine,1-6-chloropyridin-3-yl ethan-1-one,1-6-chloro-3-pyridinyl-1-ethanone,6-chloro-3-acetylpyridine,2-chloro-5-acetyl-pyridine,1-6-chloro-3-pyridinyl ethanone,1-6-chloro-pyridin-3-yl-ethanone PubChem CID: 2779698 IUPAC Name: 1-(6-chloropyridin-3-yl)ethanone SMILES: CC(=O)C1=CN=C(Cl)C=C1

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Specifications

PubChem CID	2779698
CAS	55676-22-7
Molecular Weight (g/mol)	155.58
MDL Number	MFCD03407343
SMILES	CC(=O)C1=CN=C(Cl)C=C1
Synonym	1-6-chloropyridin-3-yl ethanone,2-chloro-5-acetylpyridine,3-acetyl-6-chloropyridine,5-acetyl-2-chloropyridine,1-6-chloropyridin-3-yl ethan-1-one,1-6-chloro-3-pyridinyl-1-ethanone,6-chloro-3-acetylpyridine,2-chloro-5-acetyl-pyridine,1-6-chloro-3-pyridinyl ethanone,1-6-chloro-pyridin-3-yl-ethanone
IUPAC Name	1-(6-chloropyridin-3-yl)ethanone
InChI Key	UXSNZYGTQTXRAD-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO

tert-Butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate, ≥95%, Thermo Scientific™

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1,1,1-Trifluoro-5-methyl-2,4-hexanedione, 97%, Thermo Scientific™

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Fluoroacetone, 97%

CAS: 430-51-3 Molecular Formula: C₃H₅FO Molecular Weight (g/mol): 76.06 MDL Number: MFCD00000451 InChI Key: MSWVMWGCNZQPIA-UHFFFAOYSA-N Synonym: fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0 PubChem CID: 9889 IUPAC Name: 1-fluoropropan-2-one SMILES: CC(=O)CF

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Specifications

PubChem CID	9889
CAS	430-51-3
Molecular Weight (g/mol)	76.06
MDL Number	MFCD00000451
SMILES	CC(=O)CF
Synonym	fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0
IUPAC Name	1-fluoropropan-2-one
InChI Key	MSWVMWGCNZQPIA-UHFFFAOYSA-N
Molecular Formula	C₃H₅FO

1-Hydroxycyclohexyl phenyl ketone, 98%, Thermo Scientific Chemicals

CAS: 947-19-3 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00059561 InChI Key: QNODIIQQMGDSEF-UHFFFAOYSA-N Synonym: 1-hydroxycyclohexyl phenyl ketone,1-hydroxycyclohexyl phenyl methanone,1-benzoylcyclohexanol,hydroxycyclohexyl phenyl ketone,1-benzoylcyclohexan-1-ol,irgacure 184,methanone, 1-hydroxycyclohexyl phenyl,unii-e7jvn2243x,1-hydroxycyclohexyl-phenylmethanone,1-cyclohexylhydroxyphenylketone PubChem CID: 70355 IUPAC Name: (1-hydroxycyclohexyl)-phenylmethanone SMILES: C1CCC(CC1)(C(=O)C2=CC=CC=C2)O

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Specifications

PubChem CID	70355
CAS	947-19-3
Molecular Weight (g/mol)	204.269
MDL Number	MFCD00059561
SMILES	C1CCC(CC1)(C(=O)C2=CC=CC=C2)O
Synonym	1-hydroxycyclohexyl phenyl ketone,1-hydroxycyclohexyl phenyl methanone,1-benzoylcyclohexanol,hydroxycyclohexyl phenyl ketone,1-benzoylcyclohexan-1-ol,irgacure 184,methanone, 1-hydroxycyclohexyl phenyl,unii-e7jvn2243x,1-hydroxycyclohexyl-phenylmethanone,1-cyclohexylhydroxyphenylketone
IUPAC Name	(1-hydroxycyclohexyl)-phenylmethanone
InChI Key	QNODIIQQMGDSEF-UHFFFAOYSA-N
Molecular Formula	C13H16O2

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