3,5-DIMETHYL-4-ISOPROPOXYPHENYLBORONIC &

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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
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
208.1270746 g/mol
Monoisotopic Mass
208.1270746 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
184
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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

Calculate

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