2′-Methylacetophenone
Properties
- Molecular formula
- C9H10O
- Molar mass
- 134.18 g/mol
- Exact mass
- 134.0732 Da
- Melting point
- 107–108 °C
- Boiling point
- 214 °C
- logP
- 2.20Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
577-16-2SMILES
CC(=O)c1ccccc1CInChIKey
YXWWHNCQZBVZPV-UHFFFAOYSA-NInChI
InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
16 names · show all
- Ethanone, 1-(2-methylphenyl)-
- Acetophenone, 2′-methyl-
- Acetophenone, o-methyl-
- 1-(2-Methylphenyl)ethanone
- o-Methylacetophenone
- o-Acetyltoluene
- 2-Acetyltoluene
- Methyl 2-methylphenyl ketone
- 2-Methylphenyl methyl ketone
- Methyl o-tolyl ketone
- 1-(2-Tolyl)ethanone
- NSC 84233
- 1-(o-Tolyl)ethanone
- 1-(2-Methylphenyl)ethan-1-one
- (o-Tolyl)ethan-1-one
- 1-(o-Tolyl)ethan-1-one
Work with 2′-Methylacetophenone
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-Diacetylbenzene704-00-770 % similar
2′-Bromoacetophenone2142-69-057 % similar
1-(2,5-Dimethylphenyl)ethanone2142-73-657 % similar
2′,4′-Dimethylacetophenone89-74-757 % similar
2'-Hydroxyacetophenone104809-67-855 % similar
2′-Hydroxyacetophenone118-93-455 % similar
2′-Chloroacetophenone2142-68-955 % similar
2′-Fluoroacetophenone445-27-255 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds