chempirical

Decanophenone

C16H24OCAS 6048-82-4232.37 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C16H24O
Molar mass
232.37 g/mol
Exact mass
232.1827 Da
Melting point
33–33.5 °C
Boiling point
142–146 °C (at 2 Torr)
logP
5.01Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6048-82-4
SMILES
CCCCCCCCCC(=O)c1ccccc1
InChIKey
QQXJNLYVPPBERR-UHFFFAOYSA-N
InChI
InChI=1S/C16H24O/c1-2-3-4-5-6-7-11-14-16(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3

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

Names and synonyms

5 names
  • 1-Decanone, 1-phenyl-
  • 1-Phenyl-1-decanone
  • Capriphenone
  • Nonyl phenyl ketone
  • NSC 22014

Work with Decanophenone

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

Heptanophenone1671-75-6100 % similar Octanophenone1674-37-9100 % similar Dodecanophenone1674-38-0100 % similar 1-Phenylnonan-1-one6008-36-2100 % similar Hexanophenone942-92-796 % similar Valerophenone1009-14-986 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-074 % similar 1-Phenyl-1,3-eicosanedione58446-52-974 % similar

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

Same formula

P-Octylacetophenone10541-56-7 (-)-8-Phenylmenthol65253-04-5 Allyl-α-ionone79-78-7 1-Methoxy-4-(trans-4-propylcyclohexyl)benzene81936-32-5 4-(trans-4-Butylcyclohexyl)phenol88581-00-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook