chempirical

(Carbethoxyethylidene)triphenylphosphorane

C23H23O2PCAS 5717-37-3362.41 g/mol

Open in Covalent MOL file
OOP
Ester

Properties

Molecular formula
C23H23O2P
Molar mass
362.41 g/mol
Exact mass
362.1436 Da
Melting point
156–157 °C
logP
3.74Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
5717-37-3
SMILES
CCOC(=O)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
KZENFXVDPUMQOE-UHFFFAOYSA-N
InChI
InChI=1S/C23H23O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3

Weigh it out

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

Names and synonyms

16 names · show all
  • Propanoic acid, 2-(triphenylphosphoranylidene)-, ethyl ester
  • Propionic acid, 2-(triphenylphosphoranylidene)-, ethyl ester
  • Ethyl 2-(triphenylphosphoranylidene)propionate
  • 1-(Ethoxycarbonyl)ethylidenetriphenylphosphorane
  • Ethyl 2-(triphenylphosphoranylidene)propanoate
  • Triphenyl-α-ethoxycarbonylethylidenephosphorane
  • 2-(Triphenylphosphoranylidene)propanoic acid ethyl ester
  • [α-(Ethoxycarbonyl)ethylidene]triphenylphosphorane
  • α-(Ethoxycarbonyl)ethylenetriphenylphosphorane
  • 1-Carboethoxyethylidenetriphenylphosphorane
  • NSC 76468
  • Ethyl methyltriphenylphosphoranylideneacetate
  • (1-[Ethoxycarbonyl]ethylidene)triphenylphosphoran
  • ((Ethoxycarbonyl)ethylidene)triphenylphosphorane
  • Ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate
  • 2-(Triphenyl-λ*5*-phosphanylidene)-propionic acid ethyl ester

Work with (Carbethoxyethylidene)triphenylphosphorane

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

Triphenylcarbethoxymethylenephosphorane1099-45-250 % similar Diethyl benzylidenemalonate5292-53-550 % similar Ethyl oxanilate1457-85-849 % similar Ethyl α-oxobenzenebutanoate64920-29-249 % similar Ethyl 2-cyano-3,3-diphenylacrylate5232-99-545 % similar Ethyl N,N-diphenylcarbamate603-52-145 % similar Ethyl benzoate93-89-045 % similar 1-Phenyl-3-carbethoxy-5-pyrazolone89-33-845 % similar

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

Elsewhere

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