chempirical

2-Phenylacetophenone

C14H12OCAS 451-40-1196.25 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C14H12O
Molar mass
196.25 g/mol
Exact mass
196.0888 Da
Melting point
60 °C
Boiling point
320 °C
logP
3.11Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
451-40-1
SMILES
O=C(Cc1ccccc1)c1ccccc1
InChIKey
OTKCEEWUXHVZQI-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • Ethanone, 1,2-diphenyl-
  • Acetophenone, 2-phenyl-
  • 1,2-Diphenylethanone
  • Benzoin, deoxy-
  • Deoxybenzoin
  • Desoxybenzoin
  • Phenyl benzyl ketone
  • Benzyl phenyl ketone
  • 1,2-Diphenylethan-1-one
  • α-Phenylacetophenone
  • Phenylmethyl phenyl ketone
  • NSC 131456
  • NSC 249236
  • NSC 6097

Reactions

Work with 2-Phenylacetophenone

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-Chlorophenyl)-2-phenylethanone1889-71-071 % similar 1-(4-Bromophenyl)-2-phenylethanone2001-29-871 % similar 1-(4-Fluorophenyl)-2-phenylethan-1-one347-84-271 % similar Dihydrochalcone1083-30-365 % similar 4'-Methoxy-2-phenylacetophenone1023-17-265 % similar Dibenzoylmethane120-46-763 % similar 1,4-Diphenyl-1,4-butanedione495-71-663 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2′-Methyl[1,1′-biphenyl]-4-carboxaldehyde108934-21-0 3-(4-Methylphenyl)benzaldehyde116470-54-3 2-Methylbenzophenone131-58-8 4-Methylbenzophenone134-84-9 trans-Stilbene oxide1439-07-2 3-(3-Methylphenyl)benzaldehyde216443-78-6 Fluorene-9-methanol24324-17-2 4'-Methylbiphenyl-4-carbaldehyde36393-42-7

Elsewhere

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