2-Isobutoxy-6-methoxyphenylboronic acid
Product Information
Molecular Formula
C11H17BO4
Molecular Weight
224.1
Description
2-Isobutoxy-6-methoxyphenylboronic acid is an extraordinary pharmaceutical compound that boasts remarkable therapeutic efficacy in the management of a multitude of ailments. Manifesting unparalleled affinities for distinct target proteins, this acid heralds a new era for the creation of bespoke medications. Scientific investigations vehemently advocate for its formidable anti-cancer, anti-inflammatory, and anti-diabetic capabilities.
Synonyms
[2-methoxy-6-(2-methylpropoxy)phenyl]boronicacid; 2-Isobutoxy-6-methoxyphenylboronicacid; 1072951-97-3; (2-Isobutoxy-6-methoxyphenyl)boronicacid; ACMC-2098u2; 662003_ALDRICH
IUPAC Name
[2-methoxy-6-(2-methylpropoxy)phenyl]boronic acid
SMILES
B(C1=C(C=CC=C1OCC(C)C)OC)(O)O
InChI
InChI=1S/C11H17BO4/c1-8(2)7-16-10-6-4-5-9(15-3)11(10)12(13)14/h4-6,8,13-14H,7H2,1-3H3
InChI Key
RROWNDUHJNWYQP-UHFFFAOYSA-N
Melting Point
57-62 °C
Purity
97%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
224.1219892 g/mol
Monoisotopic Mass
224.1219892 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
198
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
