Methyl 3,5-bis(benzyloxy)benzoate

C₂₂H₂₀O₄CAS 58605-10-0348.40 g/mol

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Properties

Molecular formula: C₂₂H₂₀O₄
Molar mass: 348.40 g/mol
Exact mass: 348.1362 Da
logP: 4.63Crippen estimate
Polar surface area: 44.8 Å²
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

58605-10-0

SMILES

COC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChIKey

GBQCMRLPXFXVIN-UHFFFAOYSA-N

InChI

InChI=1S/C22H20O4/c1-24-22(23)19-12-20(25-15-17-8-4-2-5-9-17)14-21(13-19)26-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3

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Names and synonyms

1 names

Methyl 3,5-dibenzyloxybenzoate

Work with Methyl 3,5-bis(benzyloxy)benzoate

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

Methyl 4-benzyloxybenzoate32122-11-575 % similar 1-[3,5-Bis(phenylmethoxy)phenyl]ethanone28924-21-266 % similar 3,5-Bis(phenylmethoxy)benzoic acid28917-43-362 % similar Methyl benzoate93-58-356 % similar Methyl 3,5-dimethoxybenzoate2150-37-056 % similar 1-[3-(Phenylmethoxy)phenyl]ethanone34068-01-455 % similar 4-Benzyloxyphenylacetic acid methyl ester68641-16-755 % similar Ethyl 4-(phenylmethoxy)benzoate56441-55-553 % similar

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

Elsewhere

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