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3-[(2'-Isopropyl-5'-methylphenoxy)methyl]phenylboronic acid

3-[(2'-Isopropyl-5'-methylphenoxy)methyl]phenylboronic acid

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Molecular Formula:

C17H21BO3

Molecular Weight:

284.2

CAS Number:

1072951-74-6

Catalog Number:

1072951-74-6

Product Information

Molecular Formula:

C17H21BO3

Molecular Weight:

284.2

Description

3-[(2'-Isopropyl-5'-methylphenoxy)methyl]phenylboronic acid is an indispensable compound in the biomedical sector and displays immense promise in therapeutic endeavors. Renowned for its capacity to engage with precise proteins or enzymes associated with afflictions such as cancer, diabetes, and inflammation, this compound assumes a pivotal position in drug exploration. Lending a helping hand to researchers in devising precise, targeted therapies and drug configurations, it plays an instrumental role in combating a myriad of ailments.

Synonyms

[3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronicacid; 1072951-74-6; 3-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronicacid; 3-[(2'-Isopropyl-5'-methylphenoxy)methyl]phenylboronicacid; (3-((2-Isopropyl-5-methylphenoxy)methyl)phenyl)boronicacid; 661848_ALDRICH

IUPAC Name

[3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid

Canonical SMILES

B(C1=CC(=CC=C1)COC2=C(C=CC(=C2)C)C(C)C)(O)O

InChI

InChI=1S/C17H21BO3/c1-12(2)16-8-7-13(3)9-17(16)21-11-14-5-4-6-15(10-14)18(19)20/h4-10,12,19-20H,11H2,1-3H3

InChI Key

AABBYGNTCONFJV-UHFFFAOYSA-N

Melting Point

132-140 °C

Purity

95%

Safety Information

Hazards

H413

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

284.1583747 g/mol

Monoisotopic Mass

284.1583747 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

308

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

Patents

Publication Number	Title	Priority Date
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	2010-04-16

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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