TL;DR: 3,5-Bis(4-fluorobenzoyl)phenol (CAS 152993-92-5) is a chemical compound with molecular formula C20H12F2O3 and molecular weight 338.07544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-fluorobenzoyl)-5-hydroxyphenyl]-(4-fluorophenyl)methanone
Also Known As: 3,5-Bis(4-fluorobenzoyl)phenol, J1.624.129F, Methanone, (5-hydroxy-1,3-phenylene)bis[(4-fluorophenyl)-, [3-(4-fluorobenzoyl)-5-hydroxyphenyl]-(4-fluorophenyl)methanone, 3-(4-Fluorobenzoyl)-4 -fluoro-5-hydroxybenzophenone
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H12F2O3 |
| Molecular Weight | 338.07544 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.07544 Da |
| Heavy Atoms | 25 |
| Complexity | 437.0 |
| SMILES | C1=CC(=CC=C1C(=O)C2=CC(=CC(=C2)O)C(=O)C3=CC=C(C=C3)F)F |
| InChIKey | JPYRKTLIWNBXPK-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 3,5-Bis(4-fluorobenzoyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3,5-Bis(4-fluorobenzoyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(4-fluorobenzoyl)phenol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,5-Bis(4-fluorobenzoyl)phenol is 152993-92-5.
The molecular formula of 3,5-Bis(4-fluorobenzoyl)phenol is C20H12F2O3.
The molecular weight of 3,5-Bis(4-fluorobenzoyl)phenol is 338.07544 g/mol.
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