P-Octylacetophenone
Properties
- Molecular formula
- C16H24O
- Molar mass
- 232.37 g/mol
- Exact mass
- 232.1827 Da
- Melting point
- 18 °C
- Boiling point
- 184–188 °C
- logP
- 4.79Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 8
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
10541-56-7SMILES
CCCCCCCCc1ccc(C(C)=O)cc1InChIKey
GARQDIVXKVBJFP-UHFFFAOYSA-NInChI
InChI=1S/C16H24O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h10-13H,3-9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Ethanone, 1-(4-octylphenyl)-
- Acetophenone, 4′-octyl-
- 1-(4-Octylphenyl)ethanone
- p-n-Octylacetophenone
- 4′-Octylacetophenone
- NSC 168987
Work with P-Octylacetophenone
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
1-(4-Hexylphenyl)ethanone37592-72-6100 % similar
1-(4-Heptylphenyl)ethanone37593-03-6100 % similar
1-(4-Nonylphenyl)ethanone37593-05-8100 % similar
1-(4-Pentylphenyl)ethanone37593-02-596 % similar
1-(4-Butylphenyl)ethanone37920-25-586 % similar
1-(4-Propylphenyl)ethanone2932-65-273 % similar
4-Hexylbenzoic acid21643-38-963 % similar
4-Octylbenzoic acid3575-31-363 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds