chempirical

1-(4-Pentylphenyl)ethanone

C13H18OCAS 37593-02-5190.29 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
0.914 g/mL (at 20 °C)
Boiling point
159.5 °C (at 17 Torr)
logP
3.62Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

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
37593-02-5
SMILES
CCCCCc1ccc(C(C)=O)cc1
InChIKey
KBKGPMDADJLBEM-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h7-10H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Ethanone, 1-(4-pentylphenyl)-
  • Acetophenone, 4′-pentyl-
  • p-n-Pentylacetophenone
  • 4′-Pentylacetophenone
  • p-Pentylacetophenone
  • NSC 172891
  • 4-Pentylacetophenone
  • 1-(4-Pentylphenyl)ethan-1-one

Work with 1-(4-Pentylphenyl)ethanone

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

P-Octylacetophenone10541-56-796 % similar 1-(4-Hexylphenyl)ethanone37592-72-696 % similar 1-(4-Heptylphenyl)ethanone37593-03-696 % similar 1-(4-Nonylphenyl)ethanone37593-05-896 % similar 1-(4-Butylphenyl)ethanone37920-25-589 % similar 1-(4-Propylphenyl)ethanone2932-65-276 % similar 4-Pentylbenzoic acid26311-45-562 % similar 4-Pentylbenzoyl chloride49763-65-762 % 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 Heptanophenone1671-75-6 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 Spiro[5.7]trideca-1,4-dien-3-one41138-71-0

Elsewhere

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