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3-[(4-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid

3-[(4-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid

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Molecular Formula:

C16H19BO4

Molecular Weight:

286.13

CAS Number:

871126-26-0

Catalog Number:

871126-26-0

Product Information

Molecular Formula:

C16H19BO4

Molecular Weight:

286.13

Description

3-[(4-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid, a highly intricate biomedicine, exhibits remarkable potential in impeding the growth and metastasis of tumors by selectively inhibiting specified enzymes. By perturbing crucial pathways, this compound exerts a profound influence on restraining the advancement of malignancies, thereby augmenting patient prognoses.

Synonyms

(3-((4-(2-Methoxyethyl)phenoxy)methyl)phenyl)boronic acid; 3-((4'-(2-Methoxyethyl)phenoxy)methyl)phenylboronic acid; 3-[(4'-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid; [3-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]boronic acid; (3-{[4-(2-Methoxyethyl)phenoxy]methyl}phenyl)boronic acid; 3-((4'-(2-Methoxyethyl)phenoxy)methyl)p&; (3-((4-(2-Methoxyethyl)phenoxy)methyl)phenyl)boronicacid; 3-[(4(2)-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid

IUPAC Name

[3-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]boronic acid

Canonical SMILES

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

InChI

InChI=1S/C16H19BO4/c1-20-10-9-13-5-7-16(8-6-13)21-12-14-3-2-4-15(11-14)17(18)19/h2-8,11,18-19H,9-10,12H2,1H3

InChI Key

RABCYEGFKLWONK-UHFFFAOYSA-N

Melting Point

98-104 °C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

286.1376392 g/mol

Monoisotopic Mass

286.1376392 g/mol

Topological Polar Surface Area

58.9Å²

Heavy Atom Count

Formal Charge

Complexity

280

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-[(4-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid

Product Information

Computed Properties

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