chempirical

2′,4′-Dimethylacetophenone

C10H12OCAS 89-74-7148.20 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
1.0135 g/mL (at 20 °C)
Boiling point
228 °C
logP
2.51Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
89-74-7
SMILES
CC(=O)c1ccc(C)cc1C
InChIKey
HSDSKVWQTONQBJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • Ethanone, 1-(2,4-dimethylphenyl)-
  • Acetophenone, 2′,4′-dimethyl-
  • Acetophenone, 2,4-dimethyl-
  • 1-(2,4-Dimethylphenyl)ethanone
  • 2,4-Dimethylacetophenone
  • NSC 15333
  • 2,4-Dimethylphenyl methyl ketone

Work with 2′,4′-Dimethylacetophenone

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

2′-Hydroxy-4′-methylacetophenone6921-64-863 % similar 4′-Hydroxy-2′-methylacetophenone875-59-263 % similar 2,4-Dimethylbenzoyl chloride21900-42-559 % similar 2,4-Dimethylbenzoic acid611-01-859 % similar 1-(2,4,5-Trimethylphenyl)ethanone2040-07-559 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-258 % similar 2′,4′,6′-Trimethylacetophenone1667-01-257 % similar 2′,4′,6′-Trimethylacetophenone51885-97-357 % 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

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