TL;DR: 1-(4-Methoxyphenyl)-3-phenylprop-2-yn-1-ol (CAS 102990-13-6) is a chemical compound with molecular formula C16H14O2 and molecular weight 238.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-ol
Also Known As: 1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-ol, 4-Methoxy-alpha-phenylethynylbenzyl alcohol, p-Methoxy-alpha-(phenylethynyl)benzyl alcohol, 4-methoxy-a-(2-phenylethynyl)-benzenemethanol, alpha-(Phenylethynyl)-4-methoxybenzenemethanol
| Molecular Formula | C16H14O2 |
| Molecular Weight | 238.09938 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.09938 Da |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
| SMILES | COC1=CC=C(C=C1)C(C#CC2=CC=CC=C2)O |
| InChIKey | QSHXNMCFQNGRGO-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1-(4-Methoxyphenyl)-3-phenylprop-2-yn-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-(4-Methoxyphenyl)-3-phenylprop-2-yn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)-3-phenylprop-2-yn-1-ol 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-(4-Methoxyphenyl)-3-phenylprop-2-yn-1-ol is 102990-13-6.
The molecular formula of 1-(4-Methoxyphenyl)-3-phenylprop-2-yn-1-ol is C16H14O2.
The molecular weight of 1-(4-Methoxyphenyl)-3-phenylprop-2-yn-1-ol is 238.09938 g/mol.
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