2′,4′,6′-Trimethylacetophenone
Properties
- Molecular formula
- C11H14O
- Molar mass
- 162.23 g/mol
- Exact mass
- 162.1045 Da
- Density
- 0.9754 g/mL (at 20 °C)
- Boiling point
- 241 °C
- logP
- 2.81Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
51885-97-3SMILES
CC(=O)c1c(C)cc(C)cc1CInChIKey
XWCIICLTKWRWCI-UHFFFAOYSA-NInChI
InChI=1S/C11H14O/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Ethanone, 1-(2,4,6-trimethylphenyl)-
- Acetophenone, 2′,4′,6′-trimethyl-
- Acetophenone, 2,4,6-trimethyl-
- 1-(2,4,6-Trimethylphenyl)ethanone
- Acetomesitylene
- Mesityl methyl ketone
- Methyl 2,4,6-trimethylphenyl ketone
- Acetylmesitylene
- Methyl mesityl ketone
- 1-Acetyl-2,4,6-trimethylbenzene
- 1-(2,4,6-Trimethylphenyl)-1-ethanone
- NSC 65636
- 1-Mesitylethanone
- 1-Mesitylethan-1-one
- 2-Acetylmesitylene
Work with 2′,4′,6′-Trimethylacetophenone
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
Dimesityl ketone5623-45-062 % similar
2′,4′-Dimethylacetophenone89-74-757 % similar
2,4,6-Trimethylbenzoic acid480-63-755 % similar
2,4,6-Trimethylbenzoyl chloride938-18-155 % similar
1-(2,5-Dimethylphenyl)ethanone2142-73-652 % similar
2,4,6-Trimethylbenzophenone954-16-548 % similar
Ethyl 2,4,6-trimethylbenzoate1754-55-847 % similar
1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone2386-25-647 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds