1,1-Diphenylacetone
Properties
- Molecular formula
- C15H14O
- Molar mass
- 210.28 g/mol
- Exact mass
- 210.1045 Da
- Melting point
- 46 °C
- Boiling point
- 307 °C
- logP
- 3.41Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
781-35-1SMILES
CC(=O)C(c1ccccc1)c1ccccc1InChIKey
DBNWBEGCONIRGQ-UHFFFAOYSA-NInChI
InChI=1S/C15H14O/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 2-Propanone, 1,1-diphenyl-
- 1,1-Diphenyl-2-propanone
- Methyl diphenylmethyl ketone
- Benzhydryl methyl ketone
- NSC 400472
Reactions
Work with 1,1-Diphenylacetone
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
Phenylacetylcarbinol1798-60-361 % similar
Diphenylacetic acid117-34-050 % similar
Diphenylacetyl chloride1871-76-750 % similar
Methyl α-phenylbenzeneacetate3469-00-950 % similar
Diphenamid957-51-750 % similar
Phenylmethanediol diacetate581-55-545 % similar
Diphenadione82-66-642 % similar
1-Phenylethyl acetate93-92-542 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds