TL;DR: 1-(3-Chlorophenyl)octahydroisoquinolin-4a(2H)-ol (CAS 1212823-73-8) is a chemical compound with molecular formula C15H20ClNO and molecular weight 265.12335 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chlorophenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
Also Known As: 1-(3-Chlorophenyl)octahydroisoquinolin-4a(2H)-ol, 1-(3-chlorophenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol, 4a(2H)-isoquinolinol, 1-(3-chlorophenyl)octahydro-
| Molecular Formula | C15H20ClNO |
| Molecular Weight | 265.12335 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.12335 Da |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
| SMILES | C1CCC2(CCNC(C2C1)C3=CC(=CC=C3)Cl)O |
| InChIKey | XYHROWNMYDANFB-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorophenyl)octahydroisoquinolin-4a(2H)-ol. With a topological polar surface area (TPSA) of 32.3 Ų, 1-(3-Chlorophenyl)octahydroisoquinolin-4a(2H)-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)octahydroisoquinolin-4a(2H)-ol 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 1-(3-Chlorophenyl)octahydroisoquinolin-4a(2H)-ol is 1212823-73-8.
The molecular formula of 1-(3-Chlorophenyl)octahydroisoquinolin-4a(2H)-ol is C15H20ClNO.
The molecular weight of 1-(3-Chlorophenyl)octahydroisoquinolin-4a(2H)-ol is 265.12335 g/mol.
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