TL;DR: 4H-1-Benzopyran-4-one, 3-(2-fluorophenyl)-7-hydroxy- (CAS 127526-39-0) is a chemical compound with molecular formula C15H9FO3 and molecular weight 256.05356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-fluorophenyl)-7-hydroxychromen-4-one
Also Known As: starbld0013497, 3-(2-fluorophenyl)-7-hydroxy-4H-chromen-4-one, 3-(2-fluorophenyl)-7-hydroxychromen-4-one, 4H-1-Benzopyran-4-one, 3-(2-fluorophenyl)-7-hydroxy-, 3-(2-Fluorophenyl)-7-hydroxy-4H-1-benzopyran-4-one
| Molecular Formula | C15H9FO3 |
| Molecular Weight | 256.05356 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.05356 Da |
| Heavy Atoms | 19 |
| Complexity | 393.0 |
| SMILES | C1=CC=C(C(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)F |
| InChIKey | ZOLMIYZNQPEYKA-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 3-(2-fluorophenyl)-7-hydroxy-. With a topological polar surface area (TPSA) of 46.5 Ų, 4H-1-Benzopyran-4-one, 3-(2-fluorophenyl)-7-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 3-(2-fluorophenyl)-7-hydroxy- 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 4H-1-Benzopyran-4-one, 3-(2-fluorophenyl)-7-hydroxy- is 127526-39-0.
The molecular formula of 4H-1-Benzopyran-4-one, 3-(2-fluorophenyl)-7-hydroxy- is C15H9FO3.
The molecular weight of 4H-1-Benzopyran-4-one, 3-(2-fluorophenyl)-7-hydroxy- is 256.05356 g/mol.
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