1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone
Properties
- Molecular formula
- C12H16O
- Molar mass
- 176.26 g/mol
- Exact mass
- 176.1201 Da
- Density
- 0.9864 g/mL (at 0 °C)
- Melting point
- below −20 °C
- Boiling point
- 249.5 °C
- logP
- 3.32Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
1202-08-0SMILES
CC(=O)c1cc(C(C)C)ccc1CInChIKey
LVNVQCXLRILPCM-UHFFFAOYSA-NInChI
InChI=1S/C12H16O/c1-8(2)11-6-5-9(3)12(7-11)10(4)13/h5-8H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Ethanone, 1-[2-methyl-5-(1-methylethyl)phenyl]-
- Acetophenone, 5′-isopropyl-2′-methyl-
- 2-Acetyl-p-cymene
- 1-Acetyl-5-isopropyl-2-methylbenzene
- NSC 9414
- 1-(5-Isopropyl-2-methylphenyl)ethanone
- 1-(5-Isopropyl-2-methylphenyl)ethan-1-one
- 1-(2-Methyl-5-propan-2-ylphenyl)ethanone
- 1-[2-Methyl-5-(propan-2-yl)phenyl]ethan-1-one
Work with 1-[2-Methyl-5-(1-methylethyl)phenyl]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
1-(2,5-Dimethylphenyl)ethanone2142-73-659 % similar
1-[4-(1-Methylethyl)phenyl]ethanone645-13-653 % similar
1-(2,4,5-Trimethylphenyl)ethanone2040-07-552 % similar
2′-Methylacetophenone577-16-250 % similar
3,4-Dimethylacetophenone3637-01-249 % similar
Guaiazulene489-84-949 % similar
Carvacrol499-75-247 % similar
1-[2,4,6-Tris(1-methylethyl)phenyl]ethanone2234-14-246 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds