3,5-dimethyl-4-propoxyphenylboronic acid

Product Information

Molecular Formula:
C11H17BO3
Molecular Weight:
208.06
Description
3,5-dimethyl-4-propoxyphenylboronic acid is an important organic compound widely used in the biomedical industry. It shows great potential in the development of therapeutic drugs for various diseases, including cancer, diabetes and inflammation.
Synonyms
AKOS BRN-0803; 3,5-DIMETHYL-4-PROPOXYPHENYLBORONIC ACID; (4-PROPOXY-3,5-DIMETHYL)BENZENEBORONIC ACID; 4-PROPOXY-3,5-DIMETHYLPHENYLBORONIC ACID
IUPAC Name
(3,5-dimethyl-4-propoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C(=C1)C)OCCC)C)(O)O
InChI
InChI=1S/C11H17BO3/c1-4-5-15-11-8(2)6-10(12(13)14)7-9(11)3/h6-7,13-14H,4-5H2,1-3H3
InChI Key
ISUPZUFVQLUFLM-UHFFFAOYSA-N
Melting Point
182-187 °C (lit.)
Purity
98%

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
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
175
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

Patents

Publication Number Title Priority Date
US-2015232463-A1 Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication 2014-02-20
US-9193720-B2 Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication 2014-02-20
WO-2015126726-A1 Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication 2014-02-20
EP-2876109-A1 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same 2012-07-23
KR-101684955-B1 Furan-containing fused cyclic compound or its salt and pharmaceutical composition comprising the same 2012-07-23
KR-20140018795-A Furan-containing fused ring compound or salt thereof and pharmaceutical composition comprising same 2012-07-23
US-2015191478-A1 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same 2012-07-23
US-9493478-B2 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same 2012-07-23
EP-2558577-A1 Bi-functional complexes and methods for making and using such complexes 2010-04-16
US-2013281324-A1 Bi-functinal 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)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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