2-[[2-Methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetic acid

C₁₉H₂₉O₆PCAS 123599-78-0384.41 g/mol

Open in Covalent MOL file

Carboxylic acid Ester

Properties

Molecular formula: C₁₉H₂₉O₆P
Molar mass: 384.41 g/mol
Exact mass: 384.1702 Da
logP: 4.32Crippen estimate
Polar surface area: 89.9 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 12

Identifiers

CAS number

123599-78-0

SMILES

CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)O)C(C)C

InChIKey

BGHVPSAAFKIBID-UHFFFAOYSA-N

InChI

InChI=1S/C19H29O6P/c1-4-18(22)24-19(15(2)3)25-26(23,14-17(20)21)13-9-8-12-16-10-6-5-7-11-16/h5-7,10-11,15,19H,4,8-9,12-14H2,1-3H3,(H,20,21)

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Names and synonyms

3 names

Acetic acid, 2-[[2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]-
Acetic acid, [[2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]-
2-((2-Methyl-1-(propionyloxy)propoxy)(4-phenylbutyl)phosphoryl)acetic acid

Work with 2-[[2-Methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetic acid

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

Fosinopril98048-97-662 % similar Fosinopril sodium88889-14-956 % similar 2-Phenethyl propionate122-70-339 % similar 1-Phenylethyl propionate120-45-638 % similar 1-(Phenylmethyl) 2-[hydroxy(4-phenylbutyl)phosphinyl]acetate87460-09-138 % similar Benzenepentanoic acid2270-20-436 % similar 8-Phenyloctanoic acid26547-51-336 % similar Benzenepentadecanoic acid40228-93-136 % similar

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

Elsewhere

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