chempirical

Ethyltriphenylphosphonium acetate

C22H23O2PCAS 35835-94-0350.40 g/mol

Open in Covalent MOL file
OO−P+
Carboxylic acid

Properties

Molecular formula
C22H23O2P
Molar mass
350.40 g/mol
Exact mass
350.1436 Da
logP
2.76Crippen estimate
Polar surface area
40.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
35835-94-0
SMILES
CC(=O)[O-].CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
HZZUMXSLPJFMCB-UHFFFAOYSA-M
InChI
InChI=1S/C20H20P.C2H4O2/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2(3)4/h3-17H,2H2,1H3;1H3,(H,3,4)/q+1;/p-1

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Names and synonyms

2 names
  • Phosphonium, ethyltriphenyl-, acetate (1:1)
  • Phosphonium, ethyltriphenyl-, acetate

Work with Ethyltriphenylphosphonium acetate

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

Ethyltriphenylphosphonium bromide1530-32-156 % similar Ethyltriphenylphosphonium iodide4736-60-156 % similar Ethyltriphenylphosphonium chloride896-33-356 % similar Bis(triphenylphosphine)palladium diacetate14588-08-047 % similar Acetonyltriphenylphosphonium chloride1235-21-844 % similar Acetonyltriphenylphosphonium bromide2236-01-344 % similar (2-Carboxyethyl)triphenylphosphonium bromide51114-94-441 % similar Phenylmercury acetate62-38-441 % similar

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

Elsewhere

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