[(Ethoxycarbonyl)methyl]triphenylphosphonium chloride

C₂₂H₂₂ClO₂PCAS 17577-28-5384.84 g/mol

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Properties

Molecular formula: C₂₂H₂₂ClO₂P
Molar mass: 384.84 g/mol
Exact mass: 384.1046 Da
Melting point: 90 °C
logP: 0.55Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

17577-28-5

SMILES

CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]

InChIKey

DJGHVEPNEJKZBF-UHFFFAOYSA-M

InChI

InChI=1S/C22H22O2P.ClH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1

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Names and synonyms

6 names

Phosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, chloride (1:1)
Phosphonium, (carboxymethyl)triphenyl-, chloride, ethyl ester
Phosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, chloride
(Carboxymethyl)triphenylphosphonium chloride, ethyl ester
Triphenylcarbethoxymethylphosphonium chloride
(2-Ethoxy-2-oxoethyl)triphenylphosphonium chloride

Work with [(Ethoxycarbonyl)methyl]triphenylphosphonium chloride

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

(Carboxymethyl)triphenylphosphonium bromide ethyl ester1530-45-683 % similar (Methoxycarbonylmethyl)triphenylphosphonium chloride2181-97-768 % similar (tert-Butoxycarbonylmethyl)triphenylphosphonium chloride35000-37-463 % similar [3-(Ethoxycarbonyl)propyl]triphenylphosphonium bromide50479-11-358 % similar Acetonyltriphenylphosphonium chloride1235-21-855 % similar [(Methoxycarbonyl)methyl]triphenylphosphonium bromide1779-58-455 % similar Ethyl 3-phenylpropanoate2021-28-551 % similar Ethyl 2-phenoxyacetate2555-49-950 % similar

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

Elsewhere

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