3,5-DIMETHYL-4-ISOPROPOXYPHENYLBORONIC &

Inquiry

Molecular Formula:

C11H17BO3

Molecular Weight:

208.063

CAS Number:

849062-16-4

Catalog Number:

849062-16-4

Product Information

Molecular Formula:

C11H17BO3

Molecular Weight:

208.063

Description

3,5-DIMETHYL-4-ISOPROPOXYPHENYLBORONIC is widely used in the development of drugs to treat various diseases such as cancer, diabetes and inflammation.

Synonyms

3,5-Dimethyl-4-isopropoxyphenylboronic acid; (4-Isopropoxy-3,5-dimethylphenyl)boronic acid; (3,5-dimethyl-4-propan-2-yloxyphenyl)boronic acid; [3,5-dimethyl-4-(propan-2-yloxy)phenyl]boronic acid; 3,5-DIMETHYL-4-ISOPROPOXYPHENYLBORONIC &; (4-Isopropoxy-3,5-dimethylphenyl)boronicacid; SCHEMBL9893601; {3,5-Dimethyl-4-[(propan-2-yl)oxy]phenyl}boronic acid

IUPAC Name

(3,5-dimethyl-4-propan-2-yloxyphenyl)boronic acid

Canonical SMILES

B(C1=CC(=C(C(=C1)C)OC(C)C)C)(O)O

InChI

InChI=1S/C11H17BO3/c1-7(2)15-11-8(3)5-10(12(13)14)6-9(11)4/h5-7,13-14H,1-4H3

InChI Key

OESNXDCMAFEMMC-UHFFFAOYSA-N

Melting Point

206-210 °C (lit.)

Purity

98%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

208.1270746 g/mol

Monoisotopic Mass

208.1270746 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

184

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-DIMETHYL-4-ISOPROPOXYPHENYLBORONIC &

Product Information

Computed Properties

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