Diethyl P-[(4-methylphenyl)methyl]phosphonate

C12H19O3PCAS 3762-25-2242.25 g/mol

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OPOO
Phosphonate

Properties

Molecular formula
C12H19O3P
Molar mass
242.25 g/mol
Exact mass
242.1072 Da
Density
1.0832 g/mL (at 20 °C)
Boiling point
160–163 °C (at 2 Torr)
logP
3.76Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3762-25-2
SMILES
CCOP(=O)(Cc1ccc(C)cc1)OCC
InChIKey
QKGBKPZAXXBLJE-UHFFFAOYSA-N
InChI
InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3

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Names and synonyms

9 names
  • Phosphonic acid, P-[(4-methylphenyl)methyl]-, diethyl ester
  • Phosphonic acid, (p-methylbenzyl)-, diethyl ester
  • Phosphonic acid, [(4-methylphenyl)methyl]-, diethyl ester
  • Diethyl (p-methylbenzyl)phosphonate
  • Diethyl (4-methylbenzyl)phosphonate
  • Diethyl p-tolylmethylphosphonate
  • 4-Methylbenzylphosphonic acid diethyl ester
  • 1-(Diethoxyphosphorylmethyl)-4-methylbenzene
  • Diethyl P-((4-methylphenyl)methyl)phosphonate

Work with Diethyl P-[(4-methylphenyl)methyl]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]4546-04-782 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-574 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-671 % similar Diethyl (4-aminobenzyl)phosphonate20074-79-768 % similar Diethyl P-((4-bromophenyl)methyl)phosphonate38186-51-568 % similar Diethyl 4-chlorobenzylphosphonate39225-17-768 % similar Diethyl P-[(4-fluorophenyl)methyl]phosphonate63909-58-068 % similar Diethyl P-((4-methoxyphenyl)methyl)phosphonate1145-93-366 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl P-[(2-methylphenyl)methyl]phosphonate62778-16-9

Elsewhere

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