3,4-Dimethylacetophenone
Properties
- Molecular formula
- C10H12O
- Molar mass
- 148.20 g/mol
- Exact mass
- 148.0888 Da
- Density
- 1.0042 g/mL (at 20 °C)
- Melting point
- −3 °C
- Boiling point
- 246.5 °C
- logP
- 2.51Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
3637-01-2SMILES
CC(=O)c1ccc(C)c(C)c1InChIKey
WPRAXAOJIODQJR-UHFFFAOYSA-NInChI
InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Ethanone, 1-(3,4-dimethylphenyl)-
- Acetophenone, 3′,4′-dimethyl-
- 1-(3,4-Dimethylphenyl)ethanone
- 3′,4′-Dimethylacetophenone
- Methyl 3,4-dimethylphenyl ketone
Work with 3,4-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
1-(4-Chloro-3-methylphenyl)ethanone37074-39-867 % similar
4′-Hydroxy-3′-methylacetophenone876-02-867 % similar
3,4-Dimethylbenzamide5580-33-659 % similar
1,4-Diacetylbenzene1009-61-658 % similar
1-(2,4,5-Trimethylphenyl)ethanone2040-07-557 % similar
1-(4-Methyl-3-nitrophenyl)ethanone5333-27-757 % similar
3,4-Dimethylbenzoyl chloride21900-23-257 % similar
3,4-Dimethylbenzoic acid619-04-557 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds