Dimethyl P-(phenylmethyl)phosphonate

C9H13O3PCAS 773-47-7200.17 g/mol

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OPOO
Phosphonate

Properties

Molecular formula
C9H13O3P
Molar mass
200.17 g/mol
Exact mass
200.0602 Da
Boiling point
132 °C (at 0.3 Torr)
logP
2.67Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

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
773-47-7
SMILES
COP(=O)(Cc1ccccc1)OC
InChIKey
QLNYTKJCHFEIDA-UHFFFAOYSA-N
InChI
InChI=1S/C9H13O3P/c1-11-13(10,12-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

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Names and synonyms

5 names
  • Phosphonic acid, P-(phenylmethyl)-, dimethyl ester
  • Phosphonic acid, benzyl-, dimethyl ester
  • Phosphonic acid, (phenylmethyl)-, dimethyl ester
  • Dimethyl benzylphosphonate
  • NSC 202848

Work with Dimethyl P-(phenylmethyl)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

Diethyl P-(phenylmethyl)phosphonate1080-32-663 % similar Dimethyl (2-oxo-4-phenylbutyl)phosphonate41162-19-056 % similar Benzyl dimethyl phosphonoacetate57443-18-254 % similar P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-752 % similar Dimethyl(3-phenoxy-2-oxopropyl)phosphonate40665-68-747 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-547 % similar Diethyl P-((4-methoxyphenyl)methyl)phosphonate1145-93-346 % similar Dimethyl P-phenylphosphonate2240-41-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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