Isobutyrophenone
Properties
- Molecular formula
- C10H12O
- Molar mass
- 148.20 g/mol
- Exact mass
- 148.0888 Da
- Density
- 0.999 g/mL (at 40 °C)
- Melting point
- −1.3 °C
- Boiling point
- 220 °C
- logP
- 2.53Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
611-70-1SMILES
CC(C)C(=O)c1ccccc1InChIKey
BSMGLVDZZMBWQB-UHFFFAOYSA-NInChI
InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 1-Propanone, 2-methyl-1-phenyl-
- 2-Methyl-1-phenyl-1-propanone
- Isopropyl phenyl ketone
- 2-Methylpropiophenone
- α-Methylpropiophenone
- Phenyl isopropyl ketone
- 1-Phenyl-2-methyl-1-propanone
- 2-Methyl-1-phenylpropanone
- NSC 6552
Work with Isobutyrophenone
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
α-Bromopropiophenone2114-00-363 % similar
2-Fluoro-1-phenyl-1-propanone21120-36-561 % similar
2-Chloro-1-phenyl-1-propanone6084-17-961 % similar
Phenylglyoxal1075-06-556 % similar
2,2-Dichloroacetophenone2648-61-556 % similar
Benzoylcyclopropane3481-02-556 % similar
2-Benzoyl-1H-indene-1,3(2H)-dione1785-95-154 % similar
Desyl chloride447-31-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds