chempirical

1-(2,5-Dimethylphenyl)ethanone

C10H12OCAS 2142-73-6148.20 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
0.9955 g/mL (at 20 °C)
Melting point
−18.1 °C
Boiling point
232.5 °C
logP
2.51Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
2142-73-6
SMILES
CC(=O)c1cc(C)ccc1C
InChIKey
AWKBVLVKQQRRFQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3

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

Names and synonyms

7 names
  • Ethanone, 1-(2,5-dimethylphenyl)-
  • Acetophenone, 2′,5′-dimethyl-
  • 2′,5′-Dimethylacetophenone
  • 2,5-Dimethylacetophenone
  • 1-Acetyl-2,5-dimethylbenzene
  • NSC 6325
  • 1-(2,5-Dimethylphenyl)ethan-1-one

Work with 1-(2,5-Dimethylphenyl)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

2′,4′-Dimethylacetophenone89-74-772 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-263 % similar 2,5-Dimethylbenzoic acid610-72-059 % similar 1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-059 % similar 1-(2,4,5-Trimethylphenyl)ethanone2040-07-559 % similar 2′-Hydroxy-4′-methylacetophenone6921-64-858 % similar 2′-Methylacetophenone577-16-257 % similar 3,4-Dimethylacetophenone3637-01-255 % 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 Benzylacetone2550-26-7 4-Propylbenzaldehyde28785-06-0

Elsewhere

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