Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)

C₂₂H₃₂O₆P₂CAS 17919-34-5454.44 g/mol

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Properties

Molecular formula: C₂₂H₃₂O₆P₂
Molar mass: 454.44 g/mol
Exact mass: 454.1674 Da
logP: 6.89Crippen estimate
Polar surface area: 71.1 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 13

Identifiers

CAS number

17919-34-5

SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=CC=C(C=C2)CP(=O)(OCC)OCC)OCC

InChIKey

DRCOGQJUVZRNSQ-UHFFFAOYSA-N

InChI

InChI=1S/C22H32O6P2/c1-5-25-29(23,26-6-2)17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-30(24,27-7-3)28-8-4/h9-16H,5-8,17-18H2,1-4H3

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Names and synonyms

1 names

4,4-Bis(diethylphosphonomethyl)biphenyl

Work with Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)

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

P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-788 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-676 % similar Diethyl P-[(4-methylphenyl)methyl]phosphonate3762-25-274 % similar Diethyl (4-aminobenzyl)phosphonate20074-79-772 % similar Diethyl P-[(4-bromophenyl)methyl]phosphonate38186-51-572 % similar Diethyl P-[(4-chlorophenyl)methyl]phosphonate39225-17-772 % similar Diethyl P-[(4-fluorophenyl)methyl]phosphonate63909-58-072 % similar Diethyl P-[(4-methoxyphenyl)methyl]phosphonate1145-93-370 % similar

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

Elsewhere

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