Methyl 3,5-Dibenzyloxybenzoate

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Molecular Formula:

C22H20O4

Molecular Weight:

362.42

CAS Number:

58605-10-0

Catalog Number:

58605-10-0

Product Information

Molecular Formula:

C22H20O4

Molecular Weight:

362.42

Description

Methyl 3,5-Dibenzyloxybenzoate is a prominent pharmaceutical compound. With its peculiar chemical structure, this compound exhibits extraordinary antibacterial abilities and is therefore used in the development of pharmaceutical preparations for infectious diseases caused by microorganisms.

Synonyms

3,5-bis-(Benzyloxy)benzoic acid methyl ester; Methyl 3,5-dibenzyloxybenzoate

IUPAC Name

methyl 3,5-bis(phenylmethoxy)benzoate

Canonical SMILES

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

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

InChI Key

GBQCMRLPXFXVIN-UHFFFAOYSA-N

Boiling Point

442.76°C (rough estimate)

Melting Point

67 °C

Purity

>98.0%(GC)

Density

1.1447 (rough estimate)

Appearance

White to Orange to Green powder to crystal

Refractive Index

1.6000 (estimate)

Computed Properties

XLogP3

4.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

348.13615911 g/mol

Monoisotopic Mass

348.13615911 g/mol

Topological Polar Surface Area

44.8Å²

Heavy Atom Count

Formal Charge

Complexity

382

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Methyl 3,5-Dibenzyloxybenzoate

Product Information

Computed Properties

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