1-(4-Cyclohexylphenyl)ethanone

C14H18OCAS 18594-05-3202.30 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C14H18O
Molar mass
202.30 g/mol
Exact mass
202.1358 Da
Density
1.0509 g/mL (at 20 °C)
Melting point
68–69 °C
Boiling point
165–173 °C (at 10 Torr)
logP
3.94Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
18594-05-3
SMILES
CC(=O)c1ccc(C2CCCCC2)cc1
InChIKey
MSDQNIRGPBARGC-UHFFFAOYSA-N
InChI
InChI=1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Ethanone, 1-(4-cyclohexylphenyl)-
  • Acetophenone, 4′-cyclohexyl-
  • 4-Cyclohexylacetophenone
  • p-Cyclohexylacetophenone
  • 4′-Cyclohexylacetophenone
  • 1-(4-Cyclohexylphenyl)ethan-1-one

Work with 1-(4-Cyclohexylphenyl)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

4-Cyclohexylbenzoic acid20029-52-159 % similar 1-[4-(1-Methylethyl)phenyl]ethanone645-13-656 % similar 1,4-Diacetylbenzene1009-61-656 % similar 1,4-Dicyclohexylbenzene1087-02-156 % similar 4'-Piperidinoacetophenone10342-85-550 % similar 4,4'-Diacetylbiphenyl787-69-950 % similar P-Octylacetophenone10541-56-749 % similar 1-(4-Hexylphenyl)ethanone37592-72-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Amylcinnamaldehyde122-40-7 1-Ethynyl-4-(hexyloxy)benzene79887-17-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook