Dibenzoylmethane
Properties
- Molecular formula
- C15H12O2
- Molar mass
- 224.26 g/mol
- Exact mass
- 224.0837 Da
- Melting point
- 70.5 °C
- Boiling point
- 219–221 °C
- logP
- 3.14Crippen estimate
- Polar surface area
- 34.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H317 May cause an allergic skin reaction66.1% of notifiers
Aggregated from 257 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501
Identifiers
CAS number
120-46-7SMILES
O=C(CC(=O)c1ccccc1)c1ccccc1InChIKey
NZZIMKJIVMHWJC-UHFFFAOYSA-NInChI
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
16 names · show all
- 1,3-Propanedione, 1,3-diphenyl-
- 1,3-Diphenyl-1,3-propanedione
- ω-Benzoylacetophenone
- Phenyl phenacyl ketone
- 2-Benzoylacetophenone
- Karenz DK 2
- Rhodiastab 83
- NSC 406806
- NSC 52984
- NSC 6266
- DBM
- AD 158
- 1,3-Diphenylpropan-1,3-dione
- Rhodiastab 83P
- DBM 83
- PB 201
Reactions
Work with Dibenzoylmethane
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-Diphenyl-1,4-butanedione495-71-671 % similar
Benzoylacetic acid614-20-068 % similar
Benzoylacetone93-91-468 % similar
1,6-Diphenyl-1,6-hexanedione3375-38-065 % similar
2-Aminoacetophenone613-89-865 % similar
1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione1469-94-964 % similar
2-Fluoro-1-phenylethanone450-95-363 % similar
2-Phenylacetophenone451-40-163 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds