3,5-Dibenzyloxybenzoic acid

Inquiry

Molecular Formula:

C21H18O4

Molecular Weight:

334.37

CAS Number:

28917-43-3

Catalog Number:

28917-43-3

Product Information

Molecular Formula:

C21H18O4

Molecular Weight:

334.37

Description

3,5-Dibenzyloxybenzoic acid exhibits potential anti-inflammatory and analgesic properties, making it a promising candidate for treating conditions such as arthritis and chronic pain.

Synonyms

3,5-Bis(benzyloxy)benzoic acid; 3,5-Bis(phenylmethoxy)benzoic acid; Benzoic acid, 3,5-bis(phenylmethoxy)-; 3,5-Dibenzyloxy benzoic acid; Benzoic acid, 3,5-dibenzyloxy-; DTXSID70183112; HMS2855F12; 3,5-Bis(benzyloxy)benzoic acid

IUPAC Name

3,5-bis(phenylmethoxy)benzoic acid

Canonical SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18O4/c22-21(23)18-11-19(24-14-16-7-3-1-4-8-16)13-20(12-18)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,22,23)

InChI Key

DHQIBPUGSWVDOH-UHFFFAOYSA-N

Melting Point

214 °C

Purity

>98.0%(T)

Appearance

White to Orange to Green powder to crystal

Safety Information

Hazards

H315 H319

Precautionary Statement

P264 P280 P302 + P352 P337 + P313 P305 + P351 + P338 P362+P364 P332 + P313

Computed Properties

XLogP3

4.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

334.12050905 g/mol

Monoisotopic Mass

334.12050905 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

369

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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3,5-Dibenzyloxybenzoic acid

Product Information

Safety Information

Computed Properties

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