chempirical

Cyclobutyl phenyl ketone

C11H12OCAS 5407-98-7160.22 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C11H12O
Molar mass
160.22 g/mol
Exact mass
160.0888 Da
Density
1.044 g/mL (at 420 °C)
Boiling point
260 °C
logP
2.67Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
5407-98-7
SMILES
O=C(c1ccccc1)C1CCC1
InChIKey
MVEBDOSCXOQNAR-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

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

Names and synonyms

8 names
  • Methanone, cyclobutylphenyl-
  • Ketone, cyclobutyl phenyl
  • Cyclobutylphenylmethanone
  • Cyclobutane, benzoyl-
  • Benzoylcyclobutane
  • Phenyl cyclobutyl ketone
  • NSC 10744
  • 1-Cyclobutyl-1-phenylmethanone

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

Similar compounds

Cyclopentyl phenyl ketone5422-88-892 % similar Cyclohexyl phenyl ketone712-50-588 % similar Benzoylcyclopropane3481-02-583 % similar Phenylglyoxal1075-06-552 % similar 2,2-Dichloroacetophenone2648-61-552 % similar Isobutyrophenone611-70-152 % similar (4-Chlorophenyl)cyclopropylmethanone6640-25-152 % similar (4-Bromophenyl)cyclopropylmethanone6952-89-252 % similar

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

Same formula

2-Methyl-1-tetralone1590-08-5 3-Methyl-4-phenyl-3-buten-2-one1901-26-4 4-Methyl-1-tetralone19832-98-5 7-Methyl-1-tetralone22009-37-6 3,4-Dihydro-1-methyl-2(1H)-naphthalenone4024-14-0 Benzosuberone826-73-3

Elsewhere

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