Diethyl P-((4-methoxyphenyl)methyl)phosphonate

C12H19O4PCAS 1145-93-3258.25 g/mol

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OPOOO
EtherPhosphonate

Properties

Molecular formula
C12H19O4P
Molar mass
258.25 g/mol
Exact mass
258.1021 Da
Density
1.14 g/mL
Boiling point
143 °C (at 1 Torr)
logP
3.46Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

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
1145-93-3
SMILES
CCOP(=O)(Cc1ccc(OC)cc1)OCC
InChIKey
NKARVHNAACNYGE-UHFFFAOYSA-N
InChI
InChI=1S/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-6-8-12(14-3)9-7-11/h6-9H,4-5,10H2,1-3H3

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Names and synonyms

8 names
  • Diethyl P-[(4-methoxyphenyl)methyl]phosphonate
  • Phosphonic acid, P-[(4-methoxyphenyl)methyl]-, diethyl ester
  • Phosphonic acid, (p-methoxybenzyl)-, diethyl ester
  • Phosphonic acid, [(4-methoxyphenyl)methyl]-, diethyl ester
  • Diethyl (p-methoxybenzyl)phosphonate
  • Diethyl (4-methoxybenzyl)phosphonate
  • Diethyl 4-methoxybenzylphosphanate
  • 1-(Diethoxyphosphorylmethyl)-4-methoxybenzene

Work with Diethyl P-((4-methoxyphenyl)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]4546-04-777 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-570 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-667 % similar Diethyl P-[(4-methylphenyl)methyl]phosphonate3762-25-266 % similar Diethyl (4-aminobenzyl)phosphonate20074-79-764 % similar Diethyl P-((4-bromophenyl)methyl)phosphonate38186-51-564 % similar Diethyl 4-chlorobenzylphosphonate39225-17-764 % similar Diethyl P-[(4-fluorophenyl)methyl]phosphonate63909-58-064 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3-Methoxybenzyl)phosphonic acid diethyl ester60815-18-1

Elsewhere

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