chempirical

1-(Triphenylphosphoranylidene)-2-propanone

C21H19OPCAS 1439-36-7318.36 g/mol

Open in Covalent MOL file
OP
Ketone

Properties

Molecular formula
C21H19OP
Molar mass
318.36 g/mol
Exact mass
318.1174 Da
Melting point
200–202 °C
logP
3.37Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
1439-36-7
SMILES
CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
KAANTNXREIRLCT-UHFFFAOYSA-N
InChI
InChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3

Weigh it out

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

Names and synonyms

15 names · show all
  • 2-Propanone, 1-(triphenylphosphoranylidene)-
  • 2-Propanone, (triphenylphosphoranylidene)-
  • (Acetonylidene)triphenylphosphorane
  • (Acetylmethylene)triphenylphosphorane
  • Triphenyl(acetylmethylene)phosphorane
  • (Triphenylphosphoranylidene)acetone
  • (2-Oxopropylidene)triphenylphosphorane
  • (Triphenylphosphoranylidene)-2-propanone
  • 1-(Triphenylphosphoranylidene)acetone
  • 1-(Triphenylphosphorylidene)-2-propanone
  • Methyl (triphenylphosphoranylidene)methyl ketone
  • NSC 407394
  • 3-(Triphenylphosphoranylidene)-2-propanone
  • 1-(Triphenylphosphanylidene)propan-2-one
  • 1-(Triphenyl-λ5-phosphanylidene)propan-2-one

Work with 1-(Triphenylphosphoranylidene)-2-propanone

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

Carbomethoxymethylenetriphenylphosphorane2605-67-656 % similar Triphenylcarbethoxymethylenephosphorane1099-45-256 % similar 1-Phenyl-2-(triphenylphosphoranylidene)ethanone859-65-455 % similar (tert-Butoxycarbonylmethylene)triphenylphosphorane35000-38-551 % similar 4-Phenyl-3-buten-2-one122-57-647 % similar trans-4-Phenyl-3-buten-2-one1896-62-447 % similar 2-(Triphenylphosphoranylidene)acetaldehyde2136-75-642 % similar (Carbethoxyethylidene)triphenylphosphorane5717-37-341 % similar

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

Elsewhere

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