4-Methoxyphenylphosphonic acid diethyl ester

C₁₁H₁₇O₄PCAS 3762-33-2244.23 g/mol

Open in Covalent MOL file

Ether Phosphonate

Properties

Molecular formula: C₁₁H₁₇O₄P
Molar mass: 244.23 g/mol
Exact mass: 244.0864 Da
logP: 2.59Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

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

3762-33-2

SMILES

CCOP(=O)(C1=CC=C(C=C1)OC)OCC

InChIKey

OTUVLLBGFFIEJO-UHFFFAOYSA-N

InChI

InChI=1S/C11H17O4P/c1-4-14-16(12,15-5-2)11-8-6-10(13-3)7-9-11/h6-9H,4-5H2,1-3H3

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Names and synonyms

1 names

Diethyl 4-methoxyphenylphosphonate

Work with 4-Methoxyphenylphosphonic 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 phenylphosphonate1754-49-065 % similar Diethyl P-((4-methoxyphenyl)methyl)phosphonate1145-93-357 % similar 4-Methoxyphenylphosphonic acid21778-19-849 % similar (3-Methoxybenzyl)phosphonic acid diethyl ester60815-18-144 % similar Ethyl 4-methoxybenzoate94-30-444 % similar 1,4-Dimethoxybenzene150-78-743 % similar Ethyl 4-methoxyphenylacetate14062-18-141 % similar Dioctyl phenylphosphonate1754-47-841 % similar

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

Elsewhere

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