chempirical

4′-Methylpropiophenone

C10H12OCAS 5337-93-9148.20 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C10H12O
Molar mass
148.20 g/mol
Exact mass
148.0888 Da
Density
0.9883 g/mL (at 21.7 °C)
Melting point
7.2 °C
Boiling point
236 °C
logP
2.59Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
5337-93-9
SMILES
CCC(=O)c1ccc(C)cc1
InChIKey
PATYHUUYADUHQS-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Propanone, 1-(4-methylphenyl)-
  • Propiophenone, 4′-methyl-
  • 1-(4-Methylphenyl)-1-propanone
  • p-Methylpropiophenone
  • Ethyl p-tolyl ketone
  • Ethyl 4-methylphenyl ketone
  • 1-(4-Tolyl)-1-propanone
  • NSC 852
  • 1-p-Tolylpropan-1-one

Work with 4′-Methylpropiophenone

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-Methylphenyl)-1-butanone4160-52-566 % similar Propiophenone93-55-063 % similar 4′-Bromopropiophenone10342-83-362 % similar 2-Chloro-1-(4-methylphenyl)ethanone4209-24-962 % similar 1-(4-Fluorophenyl)-1-propanone456-03-162 % similar 4-Methylphenacyl bromide619-41-062 % similar 1-(4-Chlorophenyl)-1-propanone6285-05-862 % similar 4'-Aminopropiophenone70-69-962 % similar

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

Same formula

1-Phenyl-2-butanone1007-32-5 Anethole104-46-1 5,6,7,8-Tetrahydro-2-naphthol1125-78-6 Cuminaldehyde122-03-2 Estragole140-67-0 Allyl benzyl ether14593-43-2 1-(2,5-Dimethylphenyl)ethanone2142-73-6 Benzylacetone2550-26-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook