3-(3,5-Dimethoxybenzyloxy)phenylboronic acid
Product Information
Molecular Formula
C6H4OCH2C6H3(OCH3)2B(OH)2
Molecular Weight
288.10
Description
3-(3,5-Dimethoxybenzyloxy)phenylboronic acid is a remarkable substance extensively employed in the field of biomedicine due to its extraordinary characteristics and stands as a prominent cornerstone in the realm of drug discovery and development. Facilitating the synthesis of potential therapeutic agents, this compound proves itself invaluable. Moreover, its substantial impact on disease progression, particularly in cancer treatments, cannot be overlooked, as it showcases formidable inhibitory effects on enzymes or receptors pivotal to the advancement of such ailments. The profound intricacies of its mechanism and its potential as a drug target warrant extensive exploration towards tailored therapeutic interventions.
Synonyms
3-(3,5-Dimethoxybenzyloxy)phenylboronic acid
IUPAC Name
[3-[(3,5-dimethoxyphenyl)methoxy]phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)OCC2=CC(=CC(=C2)OC)OC)(O)O
InChI
InChI=1S/C15H17BO5/c1-19-14-6-11(7-15(9-14)20-2)10-21-13-5-3-4-12(8-13)16(17)18/h3-9,17-18H,10H2,1-2H3
InChI Key
AJLNRXRMGFVLDN-UHFFFAOYSA-N
Melting Point
100-105 °C (lit.)
Safety Information
Hazards
H302-H312-H315-H319-H335
Precautionary Statement
P261-P280-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
6
Exact Mass
288.1169038 g/mol
Monoisotopic Mass
288.1169038 g/mol
Topological Polar Surface Area
68.2Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
290
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
