TL;DR: 1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol (CAS 101597-25-5) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-bis(4-methoxyphenyl)prop-2-yn-1-ol
Also Known As: 1,1-bis(4-methoxyphenyl)prop-2-yn-1-ol, 1,1-BIS(4-METHOXYPHENYL)-2-PROPYN-1-OL, Bis(4-methoxyphenyl)prop-2-yn-1-ol, 1,1-bis(4-methoxyphenyl)-prop-2-yn-1-ol, 1,1-Bis(4-methoxyphenyl)propargyl alcohol
| Molecular Formula | C17H16O3 |
| Molecular Weight | 268.10995 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.10995 Da |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
| SMILES | COC1=CC=C(C=C1)C(C#C)(C2=CC=C(C=C2)OC)O |
| InChIKey | RFNDMLXNYMQMGN-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol. With a topological polar surface area (TPSA) of 38.7 Ų, 1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol is 101597-25-5.
The molecular formula of 1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol is C17H16O3.
The molecular weight of 1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol is 268.10995 g/mol.
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