TL;DR: 2-Benzofuranmethanol, alpha-(4-fluorophenyl)-alpha-methyl- (CAS 117238-44-5) is a chemical compound with molecular formula C16H13FO2 and molecular weight 256.08997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-benzofuran-2-yl)-1-(4-fluorophenyl)ethanol
Also Known As: alpha-(4-Fluorophenyl)-alpha-methyl-2-benzofuranmethanol, 2-Benzofuranmethanol, alpha-(4-fluorophenyl)-alpha-methyl-, 1-(1-benzofuran-2-yl)-1-(4-fluorophenyl)ethanol, 1-(1-Benzofuran-2-yl)-1-(4-fluorophenyl)ethan-1-ol
| Molecular Formula | C16H13FO2 |
| Molecular Weight | 256.08997 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 33.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.08997 Da |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
| SMILES | CC(C1=CC=C(C=C1)F)(C2=CC3=CC=CC=C3O2)O |
| InChIKey | HMUFYFYEEQTFJR-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 2-Benzofuranmethanol, alpha-(4-fluorophenyl)-alpha-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.4 Ų, 2-Benzofuranmethanol, alpha-(4-fluorophenyl)-alpha-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzofuranmethanol, alpha-(4-fluorophenyl)-alpha-methyl- 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 2-Benzofuranmethanol, alpha-(4-fluorophenyl)-alpha-methyl- is 117238-44-5.
The molecular formula of 2-Benzofuranmethanol, alpha-(4-fluorophenyl)-alpha-methyl- is C16H13FO2.
The molecular weight of 2-Benzofuranmethanol, alpha-(4-fluorophenyl)-alpha-methyl- is 256.08997 g/mol.
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