1-(4-Propylphenyl)ethanone

C₁₁H₁₄OCAS 2932-65-2162.23 g/mol

Open in Covalent MOL file

Ketone

Properties

Molecular formula: C₁₁H₁₄O
Molar mass: 162.23 g/mol
Exact mass: 162.1045 Da
Density: 0.98 g/mL (at 20 °C)
Boiling point: 115 °C (at 5 Torr)
logP: 2.84Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2932-65-2

SMILES

CCCc1ccc(C(C)=O)cc1

InChIKey

ZNBVIYMIVFKTIW-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

Ethanone, 1-(4-propylphenyl)-
Acetophenone, 4′-propyl-
p-n-Propylacetophenone
p-Propylacetophenone
4′-Propylacetophenone
1-Acetyl-4-propylbenzene
Methyl 4-propylphenyl ketone
NSC 172873
1-(4-Propylphenyl)ethan-1-one

Work with 1-(4-Propylphenyl)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

1-(4-Butylphenyl)ethanone37920-25-579 % similar 1-(4-Pentylphenyl)ethanone37593-02-576 % similar P-Octylacetophenone10541-56-773 % similar 1-(4-Hexylphenyl)ethanone37592-72-673 % similar 1-(4-Heptylphenyl)ethanone37593-03-673 % similar 1-(4-Nonylphenyl)ethanone37593-05-873 % similar 4′-Ethylacetophenone937-30-468 % similar 4-(2-Chloroethyl)acetophenone69614-95-563 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Valerophenone1009-14-9 4-Butylbenzaldehyde1200-14-2 2′,4′,6′-Trimethylacetophenone1667-01-2 2'-Ethylpropiophenone16819-79-7 1-(2,4,5-Trimethylphenyl)ethanone2040-07-5 Allyl alcohol-styrene copolymer25119-62-4 4'-Ethylpropiophenone27465-51-6 3-Methyl-1-phenyl-2-butanone2893-05-2

Elsewhere

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