chempirical

Hexanophenone

C12H16OCAS 942-92-7176.26 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C12H16O
Molar mass
176.26 g/mol
Exact mass
176.1201 Da
Density
0.9576 g/mL (at 25 °C)
Melting point
27 °C
Boiling point
265 °C
logP
3.45Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
942-92-7
SMILES
CCCCCC(=O)c1ccccc1
InChIKey
MAHPVQDVMLWUAG-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1-Hexanone, 1-phenyl-
  • 1-Phenyl-1-hexanone
  • Caprophenone
  • Pentyl phenyl ketone
  • 1-Benzoylpentane
  • Phenyl pentyl ketone
  • n-Pentyl phenyl ketone
  • NSC 8480

Work with Hexanophenone

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

Heptanophenone1671-75-696 % similar Octanophenone1674-37-996 % similar Dodecanophenone1674-38-096 % similar Nonanophenone6008-36-296 % similar Decanophenone6048-82-496 % similar Valerophenone1009-14-989 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-077 % similar Butyrophenone495-40-975 % similar

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

Same formula

1-(1,1-Dimethylethoxy)-3-ethenylbenzene105612-79-1 4-Cyclohexylphenol1131-60-8 2-Cyclohexylphenol119-42-6 1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-0 1-Phenylcyclohexanol1589-60-2 1-(4-Methylphenyl)-1-pentanone1671-77-8 1-Phenyl-2-hexanone25870-62-6 1-Phenyl-3-hexanone29898-25-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook