chempirical

2-Phenylcyclohexanone

C12H14OCAS 1444-65-1174.24 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C12H14O
Molar mass
174.24 g/mol
Exact mass
174.1045 Da
Melting point
63 °C
Boiling point
155–160 °C
logP
2.91Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
1444-65-1
SMILES
O=C1CCCCC1c1ccccc1
InChIKey
DRLVMOAWNVOSPE-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Cyclohexanone, 2-phenyl-
  • α-Phenylcyclohexanone
  • 2-Phenyl-1-cyclohexanone
  • (±)-2-Phenylcyclohexanone
  • NSC 22252

Work with 2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(3-Methoxyphenyl)cyclohexanone15547-89-459 % similar 2-Benzylcyclohexanone946-33-854 % similar Seratrodast112665-43-745 % similar α-Ethylbenzeneacetyl chloride36854-57-643 % similar 2-Cyclopentyl-2-phenylacetic acid3900-93-442 % similar Cyclohexylphenylacetic acid3894-09-541 % similar γ-Phenyl-γ-butyrolactone1008-76-041 % similar Tropic acid529-64-641 % 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 4-Methyl-2-phenyl-2-pentenal26643-91-4 2-Benzylcyclopentanone2867-63-2 2-Butylbenzofuran4265-27-4 4-Phenylcyclohexanone4894-75-1 Cyclopentyl phenyl ketone5422-88-8 6-Acetyltetralin774-55-0

Elsewhere

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