chempirical

1-[4-(1-Methylethyl)phenyl]ethanone

C11H14OCAS 645-13-6162.23 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C11H14O
Molar mass
162.23 g/mol
Exact mass
162.1045 Da
Density
0.97 g/mL
Boiling point
254 °C
logP
3.01Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
645-13-6
SMILES
CC(=O)c1ccc(C(C)C)cc1
InChIKey
PDLCCNYKIIUWHA-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

11 names
  • Ethanone, 1-[4-(1-methylethyl)phenyl]-
  • Acetophenone, 4′-isopropyl-
  • Cuminone
  • p-Isopropylacetophenone
  • 4-Isopropylacetophenone
  • 4′-Isopropylacetophenone
  • NSC 9165
  • 1-(4-Isopropylphenyl)ethanone
  • 1-(4-Isopropylphenyl)ethan-1-one
  • 1-(4-Propan-2-ylphenyl)ethanone
  • 1-[4-(Propan-2-yl)phenyl]ethan-1-one

Work with 1-[4-(1-Methylethyl)phenyl]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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diacetylbenzene1009-61-665 % similar 4-Isopropylbenzoic acid536-66-357 % similar 1-(4-Cyclohexylphenyl)ethanone18594-05-356 % similar 1-[2,4,6-Tris(1-methylethyl)phenyl]ethanone2234-14-255 % similar P-Methylacetophenone122-00-954 % similar 4′-Isobutylacetophenone38861-78-853 % similar 1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-053 % similar 1,4-Diisopropylbenzene100-18-552 % 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 1-(2,4,5-Trimethylphenyl)ethanone2040-07-5 Allyl alcohol-styrene copolymer25119-62-4 3-Methyl-1-phenyl-2-butanone2893-05-2 1-(4-Propylphenyl)ethanone2932-65-2 4-Isobutylbenzaldehyde40150-98-9

Elsewhere

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