TL;DR: 4H-1-Benzopyran-4-one, 3-(4-chlorophenoxy)-7-hydroxy- (CAS 137987-94-1) is a chemical compound with molecular formula C15H9ClO4 and molecular weight 288.01895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenoxy)-7-hydroxychromen-4-one
Also Known As: 3-(4-chlorophenoxy)-7-hydroxy-4H-chromen-4-one, 3-(4-chlorophenoxy)-7-hydroxychromen-4-one, 4H-1-Benzopyran-4-one, 3-(4-chlorophenoxy)-7-hydroxy-, 3-(4-Chlorophenoxy)-7-hydroxy-4H-1-benzopyran-4-one, 3-(4-Chloro-phenoxy)-7-hydroxy-chromen-4-one
| Molecular Formula | C15H9ClO4 |
| Molecular Weight | 288.01895 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.01895 Da |
| Heavy Atoms | 20 |
| Complexity | 401.0 |
| SMILES | C1=CC(=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)O)Cl |
| InChIKey | BIWKGGSODHYGIP-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 4H-1-Benzopyran-4-one, 3-(4-chlorophenoxy)-7-hydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 4H-1-Benzopyran-4-one, 3-(4-chlorophenoxy)-7-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 3-(4-chlorophenoxy)-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-(4-chlorophenoxy)-7-hydroxy- is 137987-94-1.
The molecular formula of 4H-1-Benzopyran-4-one, 3-(4-chlorophenoxy)-7-hydroxy- is C15H9ClO4.
The molecular weight of 4H-1-Benzopyran-4-one, 3-(4-chlorophenoxy)-7-hydroxy- is 288.01895 g/mol.
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