chempirical

Nonanophenone

C15H22OCAS 6008-36-2218.34 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C15H22O
Molar mass
218.34 g/mol
Exact mass
218.1671 Da
Melting point
46 °C
Boiling point
298–330 °C
logP
4.62Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
8

Identifiers

CAS number
6008-36-2
SMILES
CCCCCCCCC(=O)c1ccccc1
InChIKey
PFUPABFCHVRLLY-UHFFFAOYSA-N
InChI
InChI=1S/C15H22O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • 1-Nonanone, 1-phenyl-
  • Pelargonophenone
  • 1-Phenyl-1-nonanone
  • Pelargonylbenzene
  • Octyl phenyl ketone
  • Nonanoylbenzene
  • n-Octyl phenyl ketone

Work with Nonanophenone

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

Heptanophenone1671-75-6100 % similar Octanophenone1674-37-9100 % similar Dodecanophenone1674-38-0100 % similar Decanophenone6048-82-4100 % 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

1-(4-Heptylphenyl)ethanone37593-03-6 Nootkatone4674-50-4 (+)-α-Cyperone473-08-5 Germacrone6902-91-6 4-(trans-4-Propylcyclohexyl)phenol81936-33-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook