TL;DR: 1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol (CAS 13997-39-2) is a chemical compound with molecular formula C20H18ClNO and molecular weight 323.1077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-chlorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
Also Known As: 2-(3-chlorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol, 1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol, C(c1ccccc1)(c2ccccn2)C(C)(O)c3cccc(Cl)c3, 2-Pyridineethanol, a-(3-chlorophenyl)-a-methyl-b-phenyl-, 2-Pyridineethanol, .alpha.-(3-chlorophenyl)-.alpha.-methyl-.beta.-phenyl-
| Molecular Formula | C20H18ClNO |
| Molecular Weight | 323.1077 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.1077 Da |
| Heavy Atoms | 23 |
| Complexity | 371.0 |
| SMILES | CC(C1=CC(=CC=C1)Cl)(C(C2=CC=CC=C2)C3=CC=CC=N3)O |
| InChIKey | SIQJKXNPTOTGHR-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.1 Ų, 1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol has 1 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)-1-methyl-2-phenyl-2-(2-pyridine)ethanol is 13997-39-2.
The molecular formula of 1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol is C20H18ClNO.
The molecular weight of 1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol is 323.1077 g/mol.
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