TL;DR: 1-(3-Fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione (CAS 145370-34-9) is a chemical compound with molecular formula C15H11FO3 and molecular weight 258.0692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
Also Known As: BAS 01121975, 1-(3-fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione, AB00098110-01, 1-(3-Fluoro-phenyl)-3-(2-hydroxy-phenyl)-propane-1,3-dione, Cambridge id 5811157
| Molecular Formula | C15H11FO3 |
| Molecular Weight | 258.0692 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0692 Da |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)CC(=O)C2=CC(=CC=C2)F)O |
| InChIKey | GNFKKJQYSSAUIR-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 1-(3-Fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 1-(3-Fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione has 1 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 1-(3-Fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione is 145370-34-9.
The molecular formula of 1-(3-Fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione is C15H11FO3.
The molecular weight of 1-(3-Fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione is 258.0692 g/mol.
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