TL;DR: Phenol, 2-(1-azabicyclo(2.2.2)oct-2-ylmethyl)-, hydrochloride (CAS 106200-12-8) is a chemical compound with molecular formula C14H20ClNO and molecular weight 253.12334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol;hydrochloride
Also Known As: 2-(2-Oxybenzyl)quinuclidine hydrochloride, 2-(1-Azabicyclo(2.2.2)oct-2-ylmethyl)phenol hydrochloride, Phenol, 2-(1-azabicyclo(2.2.2)oct-2-ylmethyl)-, hydrochloride, 2-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol;hydrochloride, 2-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol hydrochloride
| Molecular Formula | C14H20ClNO |
| Molecular Weight | 253.12334 g/mol |
| XLogP | 2.8408 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.12334 Da |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
| SMILES | C1CN2CCC1CC2CC3=CC=CC=C3O.Cl |
| InChIKey | TXBNBJUALKHJCL-UHFFFAOYSA-N |
The XLogP value of 2.8408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-(1-azabicyclo(2.2.2)oct-2-ylmethyl)-, hydrochloride. With a topological polar surface area (TPSA) of 23.5 Ų, Phenol, 2-(1-azabicyclo(2.2.2)oct-2-ylmethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-(1-azabicyclo(2.2.2)oct-2-ylmethyl)-, hydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phenol, 2-(1-azabicyclo(2.2.2)oct-2-ylmethyl)-, hydrochloride is 106200-12-8.
The molecular formula of Phenol, 2-(1-azabicyclo(2.2.2)oct-2-ylmethyl)-, hydrochloride is C14H20ClNO.
The molecular weight of Phenol, 2-(1-azabicyclo(2.2.2)oct-2-ylmethyl)-, hydrochloride is 253.12334 g/mol.
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