chempirical

Heptanophenone

C13H18OCAS 1671-75-6190.29 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C13H18O
Molar mass
190.29 g/mol
Exact mass
190.1358 Da
Density
0.9792 g/mL (at 0 °C)
Melting point
16.4 °C
Boiling point
283.3 °C
logP
3.84Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1671-75-6
SMILES
CCCCCCC(=O)c1ccccc1
InChIKey
UXMQORVHJMUQFD-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1-Heptanone, 1-phenyl-
  • 1-Phenyl-1-heptanone
  • Enanthophenone
  • Hexyl phenyl ketone
  • 1-Phenylheptanone
  • n-Hexyl phenyl ketone
  • 1-Oxo-1-phenylheptane
  • Phenyl hexanyl ketone

Work with Heptanophenone

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

Octanophenone1674-37-9100 % 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

Cyclamen aldehyde103-95-7 2,3-Dihydro-2,2,4,6,7-pentamethylbenzofuran142874-81-5 2-Cyclohexyl-5-methylphenol1596-13-0 Bourgeonal18127-01-0 1-(2,3,4,5,6-Pentamethylphenyl)ethanone2040-01-9 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one23696-85-7 1-(4-Pentylphenyl)ethanone37593-02-5 Spiro[5.7]trideca-1,4-dien-3-one41138-71-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook