chempirical

4-Phenylcyclohexanone

C12H14OCAS 4894-75-1174.24 g/mol

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O
Ketone

Properties

Molecular formula
C12H14O
Molar mass
174.24 g/mol
Exact mass
174.1045 Da
Melting point
78–81 °C
Boiling point
158–160 °C (at 12 Torr)
logP
2.91Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
4894-75-1
SMILES
O=C1CCC(c2ccccc2)CC1
InChIKey
YKAYMASDSHFOGI-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2

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Names and synonyms

3 names
  • Cyclohexanone, 4-phenyl-
  • NSC 28473
  • 4-Phenyl-1-cyclohexanone

Work with 4-Phenylcyclohexanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(4′-Hydroxyphenyl)cyclohexanone105640-07-163 % similar 4-(4-Methylphenyl)cyclohexanone40503-90-063 % similar 4-(4-Oxocyclohexyl)benzamide73204-06-559 % similar 4-Phenylpiperidine771-99-348 % similar 3-Phenylglutaric acid4165-96-247 % similar 2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione104618-32-846 % similar γ-Phenyl-γ-butyrolactone1008-76-044 % similar 4-Phenylpiperidine hydrochloride10272-49-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4-Dihydro-5,7-dimethyl-1(2H)-naphthalenone13621-25-5 2-Phenylcyclohexanone1444-65-1 4-Methyl-2-phenyl-2-pentenal26643-91-4 2-Benzylcyclopentanone2867-63-2 2-Butylbenzofuran4265-27-4 Cyclopentyl phenyl ketone5422-88-8 6-Acetyltetralin774-55-0

Elsewhere

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