chempirical

Cyclohexyl phenyl ketone

C13H16OCAS 712-50-5188.27 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C13H16O
Molar mass
188.27 g/mol
Exact mass
188.1201 Da
Melting point
51 °C
Boiling point
136 °C (at 9 Torr)
logP
3.45Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
712-50-5
SMILES
O=C(c1ccccc1)C1CCCCC1
InChIKey
BMFYCFSWWDXEPB-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2

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

Names and synonyms

6 names
  • Methanone, cyclohexylphenyl-
  • Ketone, cyclohexyl phenyl
  • Cyclohexylphenylmethanone
  • Benzoyl cyclohexane
  • Phenyl cyclohexyl ketone
  • NSC 818

Work with Cyclohexyl phenyl ketone

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

Cyclopentyl phenyl ketone5422-88-896 % similar Cyclobutyl phenyl ketone5407-98-788 % similar Benzoylcyclopropane3481-02-580 % similar (2-Chlorophenyl)cyclopentylmethanone6740-85-853 % similar Phenylglyoxal1075-06-550 % similar 2,2-Dichloroacetophenone2648-61-550 % similar Isobutyrophenone611-70-150 % similar (4-Chlorophenyl)cyclopropylmethanone6640-25-150 % similar

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

Same formula

[[(2,2-Dimethyl-3-butyn-1-yl)oxy]methyl]benzene1092536-54-3 2-Cyclohexylbenzaldehyde128323-04-6 5-Methyl-2-phenyl-2-hexenal21834-92-4 4-(4-Methylphenyl)cyclohexanone40503-90-0 4,4-Dimethyl-1-phenyl-1-penten-3-one538-44-3 2-Benzylcyclohexanone946-33-8

Elsewhere

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