4-(3'-CHLOROBENZYLOXY)-3,5-DIMETHYLPHEN&
Product Information
Molecular Formula
C15H16BClO3
Molecular Weight
290.552
Description
4-(3'-CHLOROBENZYLOXY)-3,5-DIMETHYLPHEN is a chemically synthesized compound. Serving as an intermediary agent, it efficiently facilitates the intricate synthesis of diverse pharmacological agents.
Synonyms
4-(3'-Chlorobenzyloxy)-3,5-dimethylphenylboronic
IUPAC Name
[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid
SMILES
B(C1=CC(=C(C(=C1)C)OCC2=CC(=CC=C2)Cl)C)(O)O
InChI
InChI=1S/C15H16BClO3/c1-10-6-13(16(18)19)7-11(2)15(10)20-9-12-4-3-5-14(17)8-12/h3-8,18-19H,9H2,1-2H3
InChI Key
FSGQMHRYHYNMCX-UHFFFAOYSA-N
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
3
Rotatable Bond Count
4
Exact Mass
290.0881022 g/mol
Monoisotopic Mass
290.0881022 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
291
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 |
|---|---|---|
| AU-2018273599-A1 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin E2, a method of production thereof and use thereof | 2017-05-24 |
| CA-3058795-A1 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin e2, a method of production thereof and use thereof | 2017-05-24 |
| EP-3630730-A1 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin e2, a method of production thereof and use thereof | 2017-05-24 |
| WO-2018215003-A1 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin e2, a method of production thereof and use thereof | 2017-05-24 |
| AU-2018273599-B2 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin E2, a method of production thereof and use thereof | 2017-05-24 |
| EP-3630730-B1 | Polysubstituted pyrimidines inhibiting the formation of prostaglandin e2, a method of production thereof and use thereof | 2017-05-24 |
| WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 2010-04-16 |
| US-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
