chempirical

Cyclopentyl phenyl ketone

C12H14OCAS 5422-88-8174.24 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C12H14O
Molar mass
174.24 g/mol
Exact mass
174.1045 Da
Boiling point
136–140 °C (at 16 Torr)
logP
3.06Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
5422-88-8
SMILES
O=C(c1ccccc1)C1CCCC1
InChIKey
VYDIMQRLNMMJBW-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2

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Names and synonyms

7 names
  • Methanone, cyclopentylphenyl-
  • Ketone, cyclopentyl phenyl
  • Cyclopentylphenylmethanone
  • Phenyl cyclopentyl ketone
  • Benzoylcyclopentane
  • NSC 10749
  • NSC 401765

Work with Cyclopentyl 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

Cyclohexyl phenyl ketone712-50-596 % similar Cyclobutyl phenyl ketone5407-98-792 % similar Benzoylcyclopropane3481-02-583 % similar (2-Chlorophenyl)cyclopentylmethanone6740-85-855 % similar Phenylglyoxal1075-06-552 % similar 2,2-Dichloroacetophenone2648-61-552 % similar Isobutyrophenone611-70-152 % similar (4-Chlorophenyl)cyclopropylmethanone6640-25-152 % 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-Butylbenzofuran4265-27-4 4-Phenylcyclohexanone4894-75-1 6-Acetyltetralin774-55-0

Elsewhere

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