4-(4'-Isopentyloxyphenyl)phenylboronic acid

Inquiry

Molecular Formula:

C17H21BO3

Molecular Weight:

284.2

CAS Number:

1072951-81-5

Catalog Number:

1072951-81-5

Product Information

Molecular Formula:

C17H21BO3

Molecular Weight:

284.2

Description

4-(4'-Isopentyloxyphenyl)phenylboronic acid is a biomedical compound renowned for its multifaceted applications and stands distinguished as an efficacious therapeutic modality for diverse afflictions. Esteemed for its utilization as a boronic acid derivative, this compound showcases commendable prospects in cancer exploration, exemplifying its profound significance in drug administration mechanisms and pharmaceutical amalgamation.

Synonyms

[4-[4-(3-methylbutoxy)phenyl]phenyl]boronicacid; 1072951-81-5; 4-(4'-Isopentyloxyphenyl)phenylboronicacid; (4'-(Isopentyloxy)-[1,1'-biphenyl]-4-yl)boronicacid; 4-(4-Isopentyloxyphenyl)phenylboronicacid; SCHEMBL2557938

IUPAC Name

[4-[4-(3-methylbutoxy)phenyl]phenyl]boronic acid

Canonical SMILES

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

InChI

InChI=1S/C17H21BO3/c1-13(2)11-12-21-17-9-5-15(6-10-17)14-3-7-16(8-4-14)18(19)20/h3-10,13,19-20H,11-12H2,1-2H3

InChI Key

DCGWYEOALFPYHU-UHFFFAOYSA-N

Melting Point

214-220 °C

Purity

95%

Appearance

White to tan solid

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

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)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

4-(4'-Isopentyloxyphenyl)phenylboronic acid

Product Information

Computed Properties

Related Products