TL;DR: 2-Pyrrolidinemethanol, 1-(2-(2-hydroxy-2-phenylethoxy)ethyl)- (CAS 131962-72-6) is a chemical compound with molecular formula C15H23NO3 and molecular weight 265.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol
Also Known As: 1-(2-(2-Hydroxy-2-phenylethoxy)ethyl)-2-pyrrolidinemethanol, 2-Pyrrolidinemethanol, 1-(2-(2-hydroxy-2-phenylethoxy)ethyl)-, 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol, 2-{2-[2-(Hydroxymethyl)pyrrolidin-1-yl]ethoxy}-1-phenylethan-1-ol
| Molecular Formula | C15H23NO3 |
| Molecular Weight | 265.1678 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 265.1678 Da |
| Heavy Atoms | 19 |
| Complexity | 244.0 |
| SMILES | C1CC(N(C1)CCOCC(C2=CC=CC=C2)O)CO |
| InChIKey | YKQHXGBABSNCNK-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinemethanol, 1-(2-(2-hydroxy-2-phenylethoxy)ethyl)-. With a topological polar surface area (TPSA) of 52.9 Ų, 2-Pyrrolidinemethanol, 1-(2-(2-hydroxy-2-phenylethoxy)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinemethanol, 1-(2-(2-hydroxy-2-phenylethoxy)ethyl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Pyrrolidinemethanol, 1-(2-(2-hydroxy-2-phenylethoxy)ethyl)- is 131962-72-6.
The molecular formula of 2-Pyrrolidinemethanol, 1-(2-(2-hydroxy-2-phenylethoxy)ethyl)- is C15H23NO3.
The molecular weight of 2-Pyrrolidinemethanol, 1-(2-(2-hydroxy-2-phenylethoxy)ethyl)- is 265.1678 g/mol.
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