3′-Methylacetophenone
Properties
- Molecular formula
- C9H10O
- Molar mass
- 134.18 g/mol
- Exact mass
- 134.0732 Da
- Boiling point
- 220 °C
- logP
- 2.20Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
585-74-0SMILES
CC(=O)c1cccc(C)c1InChIKey
FSPSELPMWGWDRY-UHFFFAOYSA-NInChI
InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)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-(3-methylphenyl)-
- Acetophenone, 3′-methyl-
- 1-(3-Methylphenyl)ethanone
- m-Methylacetophenone
- 1-Acetyl-3-methylbenzene
- Methyl m-tolyl ketone
- 3-Methylphenyl methyl ketone
- 1-(3-Tolyl)ethanone
- 3-Acetyltoluene
- NSC 46632
- Methyl 3-methylphenyl ketone
- 1-m-Tolylethanone
- 3-Methyl-1-acetylbenzene
- 1-(3-Methylphenyl)ethan-1-one
- (m-Tolyl)ethan-1-one
- 1-(m-Tolyl)ethan-1-one
Work with 3′-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
1,3-Diacetylbenzene6781-42-672 % similar
Acetophenone98-86-262 % similar
3′-Fluoroacetophenone455-36-760 % similar
3-Methylbenzophenone643-65-260 % similar
1-(3-Chlorophenyl)ethanone99-02-560 % similar
3-Hydroxyacetophenone121-71-158 % similar
3-Iodoacetophenone14452-30-358 % similar
3-Methylbenzoyl chloride1711-06-458 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds