3-(4-Methoxybenzyloxy)phenylboronic acid
Product Information
Molecular Formula
C14H15BO4
Molecular Weight
258.1
Description
3-(4-Methoxybenzyloxy)phenylboronic acid is a small molecule chemical containing boric acid. This compound shows great potential in the field of cancer research, effectively preventing the proliferation of malignant cells. In addition, it has shown significant efficacy in drug development for inflammatory and neurodegenerative diseases.
Synonyms
[3-[(4-methoxyphenyl)methoxy]phenyl]boronicacid; 1072951-89-3; 3-(4-Methoxybenzyloxy)phenylboronicacid; 3-(4'-Methoxybenzyloxy)phenylboronicacid; (3-((4-Methoxybenzyl)oxy)phenyl)boronicacid; ACMC-2098tw
IUPAC Name
[3-[(4-methoxyphenyl)methoxy]phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)OCC2=CC=C(C=C2)OC)(O)O
InChI
InChI=1S/C14H15BO4/c1-18-13-7-5-11(6-8-13)10-19-14-4-2-3-12(9-14)15(16)17/h2-9,16-17H,10H2,1H3
InChI Key
BBNOCVPPEAVHKK-UHFFFAOYSA-N
Melting Point
159-163 °C
Purity
95%
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
258.1063391 g/mol
Monoisotopic Mass
258.1063391 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
254
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 |
|---|---|---|
| EP-3317278-A1 | Somatostatin modulators and uses thereof | 2015-07-01 |
| US-2017001966-A1 | Somatostatin modulators and uses thereof | 2015-07-01 |
| US-9902703-B2 | Somatostatin modulators and uses thereof | 2015-07-01 |
| WO-2017003724-A1 | Somatostatin modulators and uses thereof | 2015-07-01 |
| EP-3317278-B1 | Somatostatin modulators and uses thereof | 2015-07-01 |
| 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 |
