3-Methyl-1-phenyl-2-butanone
Properties
- Molecular formula
- C11H14O
- Molar mass
- 162.23 g/mol
- Exact mass
- 162.1045 Da
- Density
- 0.985 g/mL (at 40 °C)
- Boiling point
- 237 °C
- logP
- 2.45Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
2893-05-2SMILES
CC(C)C(=O)Cc1ccccc1InChIKey
ZATIMOAGKJEVGN-UHFFFAOYSA-NInChI
InChI=1S/C11H14O/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 2-Butanone, 3-methyl-1-phenyl-
- Isopropylbenzyl ketone
- Benzyl isopropyl ketone
- 1-Phenyl-3-methyl-2-butanone
- NSC 406926
Work with 3-Methyl-1-phenyl-2-butanone
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
1,1-Diethoxy-3-phenyl-2-propanone19256-31-656 % similar
4-Methyl-1-phenyl-2-pentanone5349-62-252 % similar
Dibenzyl ketone102-04-550 % similar
Benzyl isobutyrate103-28-650 % similar
2-Phenylethyl isobutyrate103-48-050 % similar
Phenylacetone103-79-750 % similar
N-Phenyl-isobutyloylacetamide124401-38-350 % similar
Isobutyl phenylacetate102-13-647 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds