chempirical

(3-Methoxybenzyl)phosphonic acid diethyl ester

C12H19O4PCAS 60815-18-1258.25 g/mol

Open in Covalent MOL file
OPOOO
EtherPhosphonate

Properties

Molecular formula
C12H19O4P
Molar mass
258.25 g/mol
Exact mass
258.1021 Da
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. Search the SDS library

Identifiers

CAS number
60815-18-1
SMILES
CCOP(=O)(CC1=CC(=CC=C1)OC)OCC
InChIKey
IGGMUQNGGBRXFB-UHFFFAOYSA-N
InChI
InChI=1S/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-7-6-8-12(9-11)14-3/h6-9H,4-5,10H2,1-3H3

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Names and synonyms

1 names
  • Diethyl 3-methoxybenzylphosphonate

Work with (3-Methoxybenzyl)phosphonic acid diethyl ester

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)phosphonate1080-32-664 % similar P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-758 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-554 % similar Diethyl 4-chlorobenzylphosphonate39225-17-754 % similar 4,4'-Bis(diethylmethylphosphonate)-2,2'-bipyridine176220-38-553 % similar Diethyl P-[(4-methylphenyl)methyl]phosphonate3762-25-251 % similar Ethyl 3-methoxybenzeneacetate35553-92-551 % similar Diethyl (4-aminobenzyl)phosphonate20074-79-750 % similar

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

Same formula

Diethyl P-((4-methoxyphenyl)methyl)phosphonate1145-93-3

Elsewhere

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