chempirical

1-(Phenylmethyl) 2-[hydroxy(4-phenylbutyl)phosphinyl]acetate

C19H23O4PCAS 87460-09-1346.36 g/mol

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OPOHOO
Ester

Properties

Molecular formula
C19H23O4P
Molar mass
346.36 g/mol
Exact mass
346.1334 Da
Melting point
68–70 °C
logP
4.02Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
9

Identifiers

CAS number
87460-09-1
SMILES
O=C(CP(=O)(O)CCCCc1ccccc1)OCc1ccccc1
InChIKey
GVDMCYBWLREELG-UHFFFAOYSA-N
InChI
InChI=1S/C19H23O4P/c20-19(23-15-18-12-5-2-6-13-18)16-24(21,22)14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13H,7-8,11,14-16H2,(H,21,22)

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Names and synonyms

4 names
  • Acetic acid, 2-[hydroxy(4-phenylbutyl)phosphinyl]-, 1-(phenylmethyl) ester
  • Acetic acid, [hydroxy(4-phenylbutyl)phosphinyl]-, phenylmethyl ester
  • [Hydroxy-(4-phenyl-butyl)-phosphinoyl]-acetic acid benzyl ester
  • (2-(Benzyloxy)-2-oxoethyl)(4-phenylbutyl)phosphinicacid

Work with 1-(Phenylmethyl) 2-[hydroxy(4-phenylbutyl)phosphinyl]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

Dibenzyl malonate15014-25-250 % similar 1-(Phenylmethyl) propanedioate40204-26-047 % similar Benzyl propionate122-63-447 % similar Phenylmethyl 2-chloroacetate140-18-147 % similar Benzyl bromoacetate5437-45-647 % similar Glycine benzyl ester monohydrochloride2462-31-944 % similar Benzyl acetoacetate5396-89-443 % similar γ-Benzyl L-glutamate1676-73-942 % similar

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

Elsewhere

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