Diethyl P-[(2-methylphenyl)methyl]phosphonate

C12H19O3PCAS 62778-16-9242.25 g/mol

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OPOO
Phosphonate

Properties

Molecular formula
C12H19O3P
Molar mass
242.25 g/mol
Exact mass
242.1072 Da
Boiling point
115 °C (at 3 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
62778-16-9
SMILES
CCOP(=O)(Cc1ccccc1C)OCC
InChIKey
SAVIMLRIKAZZCZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3

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Names and synonyms

5 names
  • Phosphonic acid, P-((2-methylphenyl)methyl)-, diethyl ester
  • Phosphonic acid, P-[(2-methylphenyl)methyl]-, diethyl ester
  • Phosphonic acid, [(2-methylphenyl)methyl]-, diethyl ester
  • Diethyl 2-methylbenzylphosphonate
  • 1-(Diethoxyphosphorylmethyl)-2-methylbenzene

Work with Diethyl P-[(2-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

Diethyl P-(phenylmethyl)phosphonate1080-32-659 % similar P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-758 % similar 9,10-Bis(diethylphosphonomethyl)anthracene60974-92-757 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-553 % similar 2-Methylbenzylphosphonic acid18896-56-553 % similar Diethyl 4-vinylbenzylphosphonate726-61-449 % similar Diethyl (4-aminobenzyl)phosphonate20074-79-749 % similar Diethyl P-((4-bromophenyl)methyl)phosphonate38186-51-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl P-[(4-methylphenyl)methyl]phosphonate3762-25-2

Elsewhere

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