1-(4-Methylphenyl)-1-butanone
Properties
- Molecular formula
- C11H14O
- Molar mass
- 162.23 g/mol
- Exact mass
- 162.1045 Da
- Density
- 0.9745 g/mL (at 20 °C)
- Melting point
- 12 °C
- Boiling point
- 251.5 °C
- logP
- 2.98Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Identifiers
CAS number
4160-52-5SMILES
CCCC(=O)c1ccc(C)cc1InChIKey
CIYAESDXUTVTAL-UHFFFAOYSA-NInChI
InChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 1-Butanone, 1-(4-methylphenyl)-
- Butyrophenone, 4′-methyl-
- p-Methylbutyrophenone
- 4′-Methylbutyrophenone
- p-Tolyl propyl ketone
- NSC 163487
- 1-Butyryl-4-methylbenzene
- 1-(p-Tolyl)butan-1-one
- 4-Methylbutyrophenone
Work with 1-(4-Methylphenyl)-1-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-(4-Methylphenyl)-1-pentanone1671-77-879 % similar
Butyrophenone495-40-966 % similar
4′-Methylpropiophenone5337-93-966 % similar
4′-Hydroxybutyrophenone1009-11-665 % similar
1-(4-Aminophenyl)-1-butanone1688-71-765 % similar
1-(4-Chlorophenyl)-1-butanone4981-63-965 % similar
1-(4-Bromophenyl)-1-butanone4981-64-065 % similar
1-(4-Fluorophenyl)-1-butanone582-83-265 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds