3-(Hydroxymethyl)-4-methylphenylboronic Acid Pinacol Ester - CAS 1544673-46-2
Catalog: |
BB011014 |
Product Name: |
3-(Hydroxymethyl)-4-methylphenylboronic Acid Pinacol Ester |
CAS: |
1544673-46-2 |
Synonyms: |
[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
IUPAC Name: | [2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
Description: | 3-(Hydroxymethyl)-4-methylphenylboronic Acid Pinacol Ester (CAS# 1544673-46-2) is a useful research chemical. |
Molecular Weight: | 248.13 |
Molecular Formula: | C14H21O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C)CO |
InChI: | InChI=1S/C14H21BO3/c1-10-6-7-12(8-11(10)9-16)15-17-13(2,3)14(4,5)18-15/h6-8,16H,9H2,1-5H3 |
InChI Key: | HLEBNLQFGHQIKK-UHFFFAOYSA-N |
MDL: | MFCD18729961 |
LogP: | 1.78650 |
Publication Number | Title | Priority Date |
WO-2021170774-A1 | New macrocyclic compounds, a process for their preparation and pharmaceutical compositions containing them | 20200228 |
WO-2020165776-A1 | Hydroxypyridoxazepines as nrf2 activators | 20190215 |
TW-202045514-A | Hydroxypyridoxazepines as nrf2 activators | 20190215 |
CN-113474349-A | Hydroxypyridooxazepine heptatrienes as NRF2 activators | 20190215 |
EP-3555088-A1 | Bisaryl amides as nrf2 regulators | 20161214 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.1583747 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.1583747 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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