3-[(2'-Isopropyl-5'-methylphenoxy)methyl]phenylboronic acid
Product Information
Molecular Formula
C17H21BO3
Molecular Weight
284.2
Description
3-[(2'-Isopropyl-5'-methylphenoxy)methyl]phenylboronic acid is an indispensable compound in the biomedical sector and displays immense promise in therapeutic endeavors. Renowned for its capacity to engage with precise proteins or enzymes associated with afflictions such as cancer, diabetes, and inflammation, this compound assumes a pivotal position in drug exploration. Lending a helping hand to researchers in devising precise, targeted therapies and drug configurations, it plays an instrumental role in combating a myriad of ailments.
Synonyms
[3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronicacid; 1072951-74-6; 3-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronicacid; 3-[(2'-Isopropyl-5'-methylphenoxy)methyl]phenylboronicacid; (3-((2-Isopropyl-5-methylphenoxy)methyl)phenyl)boronicacid; 661848_ALDRICH
IUPAC Name
[3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)COC2=C(C=CC(=C2)C)C(C)C)(O)O
InChI
InChI=1S/C17H21BO3/c1-12(2)16-8-7-13(3)9-17(16)21-11-14-5-4-6-15(10-14)18(19)20/h4-10,12,19-20H,11H2,1-3H3
InChI Key
AABBYGNTCONFJV-UHFFFAOYSA-N
Melting Point
132-140 °C
Purity
95%
Safety Information
Hazards
H413
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
284.1583747 g/mol
Monoisotopic Mass
284.1583747 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
308
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 |
|---|---|---|
| WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 2010-04-16 |
