1-(2,4,5-Trimethylphenyl)ethanone
Properties
- Molecular formula
- C11H14O
- Molar mass
- 162.23 g/mol
- Exact mass
- 162.1045 Da
- Melting point
- 10.5 °C
- Boiling point
- 246.5 °C
- logP
- 2.81Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
2040-07-5SMILES
CC(=O)c1cc(C)c(C)cc1CInChIKey
GENBEGZNCBFHSU-UHFFFAOYSA-NInChI
InChI=1S/C11H14O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Ethanone, 1-(2,4,5-trimethylphenyl)-
- Acetophenone, 2′,4′,5′-trimethyl-
- 2′,4′,5′-Trimethylacetophenone
- 2,4,5-Trimethylacetophenone
- NSC 833
- 1-(2,4,5-Trimethylphenyl)ethan-1-one
Work with 1-(2,4,5-Trimethylphenyl)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′-Hydroxy-4′,5′-dimethylacetophenone36436-65-464 % similar
1-(2,5-Dimethylphenyl)ethanone2142-73-659 % similar
2′,4′-Dimethylacetophenone89-74-759 % similar
3,4-Dimethylacetophenone3637-01-257 % similar
4′-Hydroxy-2′-methylacetophenone875-59-255 % similar
2,4,5-Trimethylbenzoic acid528-90-554 % similar
2′-Methylacetophenone577-16-254 % similar
1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-052 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds