chempirical

Octanophenone

C14H20OCAS 1674-37-9204.31 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C14H20O
Molar mass
204.31 g/mol
Exact mass
204.1514 Da
Density
0.9438 g/mL (at 30 °C)
Melting point
22.8 °C
Boiling point
285 °C
logP
4.23Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
7

Hazards

Not classified as hazardous under GHS by 37 ECHA notifiers. Aggregated from 37 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1674-37-9
SMILES
CCCCCCCC(=O)c1ccccc1
InChIKey
UDEVCZRUNOLVLU-UHFFFAOYSA-N
InChI
InChI=1S/C14H20O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Octanone, 1-phenyl-
  • 1-Phenyl-1-octanone
  • Caprylophenone
  • Heptyl phenyl ketone
  • Phenyl n-heptyl ketone
  • n-Heptyl phenyl ketone
  • Phenyl heptyl ketone
  • NSC 22009
  • Octanoylbenzene

Work with Octanophenone

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 Dodecanophenone1674-38-0100 % similar 1-Phenylnonan-1-one6008-36-2100 % 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-Hexylphenyl)ethanone37592-72-6 Lilial80-54-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook