TL;DR: 4H-1-Benzopyran-4-one, 3-(4-chlorophenyl)-6-ethyl-7-hydroxy- (CAS 106445-82-3) is a chemical compound with molecular formula C17H13ClO3 and molecular weight 300.05533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-6-ethyl-7-hydroxychromen-4-one
Also Known As: 4,8-dimethyl-1,1-dimethoxynonane, 3-(4-Chlorophenyl)-6-ethyl-7-hydroxy-4H-chromen-4-one, 3-(4-chlorophenyl)-6-ethyl-7-hydroxychromen-4-one, 4H-1-Benzopyran-4-one, 3-(4-chlorophenyl)-6-ethyl-7-hydroxy-, 3-(4-Chlorophenyl)-6-ethyl-7-hydroxy-4H-1-benzopyran-4-one
| Molecular Formula | C17H13ClO3 |
| Molecular Weight | 300.05533 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.05533 Da |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
| SMILES | CCC1=CC2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)Cl |
| InChIKey | NKFUWFJYZVCCAU-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 4H-1-Benzopyran-4-one, 3-(4-chlorophenyl)-6-ethyl-7-hydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4H-1-Benzopyran-4-one, 3-(4-chlorophenyl)-6-ethyl-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-chlorophenyl)-6-ethyl-7-hydroxy- 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 4H-1-Benzopyran-4-one, 3-(4-chlorophenyl)-6-ethyl-7-hydroxy- is 106445-82-3.
The molecular formula of 4H-1-Benzopyran-4-one, 3-(4-chlorophenyl)-6-ethyl-7-hydroxy- is C17H13ClO3.
The molecular weight of 4H-1-Benzopyran-4-one, 3-(4-chlorophenyl)-6-ethyl-7-hydroxy- is 300.05533 g/mol.
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