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
Canonical 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
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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