3-(Benzyloxy)-4-methylphenylboronic acid

Inquiry

Molecular Formula:

C14H15BO3

Molecular Weight:

242.08

Product Information

Molecular Formula:

C14H15BO3

Molecular Weight:

242.08

Description

3-(Benzyloxy)-4-methylphenylboronic acid has shown an important role in drug synthesis, especially the synthesis of drugs targeting cancer, inflammation and cardiovascular diseases.

Synonyms

(4-methyl-3-phenylmethoxyphenyl)boronic acid; [3-(Benzyloxy)-4-methylphenyl]boronic acid; Boronic acid, B-[4-methyl-3-(phenylmethoxy)phenyl]-; (3-(Benzyloxy)-4-methylphenyl)boronicacid; 3-(Benzyloxy)-4-methylphenylboronic acid

IUPAC Name

(4-methyl-3-phenylmethoxyphenyl)boronic acid

Canonical SMILES

B(C1=CC(=C(C=C1)C)OCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C14H15BO3/c1-11-7-8-13(15(16)17)9-14(11)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3

InChI Key

NJDWFMZIGIGFTM-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

242.1114245 g/mol

Monoisotopic Mass

242.1114245 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

241

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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Concentration _(final)

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3-(Benzyloxy)-4-methylphenylboronic acid

Product Information

Computed Properties

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