1-Phenyl-2-(triphenylphosphoranylidene)ethanone

C26H21OPCAS 859-65-4380.43 g/mol

Open in Covalent MOL file
OP
Ketone

Properties

Molecular formula
C26H21OP
Molar mass
380.43 g/mol
Exact mass
380.1330 Da
Melting point
186–188 °C
logP
4.67Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
859-65-4
SMILES
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIKey
MZRSAJZDYIISJW-UHFFFAOYSA-N
InChI
InChI=1S/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H

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Names and synonyms

12 names
  • Ethanone, 1-phenyl-2-(triphenylphosphoranylidene)-
  • Acetophenone, 2-(triphenylphosphoranylidene)-
  • 2-(Triphenylphosphoranylidene)acetophenone
  • Phenacylidenetriphenylphosphorane
  • (Phenylcarbonylmethylene)triphenylphosphorane
  • SKF 45359
  • α-(Triphenylphosphoranylidene)acetophenone
  • (Benzoylmethylene)triphenylphosphorane
  • (2-Oxo-2-phenylethylidene)triphenylphosphorane
  • NSC 167167
  • Triphenylphosphoranylideneacetophenone
  • 1-Phenyl-2-(triphenylphosphanylidene)ethan-1-one

Work with 1-Phenyl-2-(triphenylphosphoranylidene)ethanone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diphenyl-2-butene-1,4-dione4070-75-156 % similar trans-1,2-Dibenzoylethylene959-28-456 % similar 1-(Triphenylphosphoranylidene)-2-propanone1439-36-755 % similar Phenylglyoxal1074-12-052 % similar Carbomethoxymethylenetriphenylphosphorane2605-67-652 % similar 1-Phenyl-2-buten-1-one495-41-048 % similar trans-Chalcone614-47-148 % similar Chalcone94-41-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook