TL;DR: 4H-1-Benzopyran-4-one, 6-acetyl-7-hydroxy-2-(2-methoxyphenyl)- (CAS 126412-03-1) is a chemical compound with molecular formula C18H14O5 and molecular weight 310.08414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-acetyl-7-hydroxy-2-(2-methoxyphenyl)chromen-4-one
Also Known As: 4H-1-Benzopyran-4-one, 6-acetyl-7-hydroxy-2-(2-methoxyphenyl)-, 6-Acetyl-7-hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one, 6-acetyl-7-hydroxy-2-(2-methoxyphenyl)-4H-chromen-4-one, 6-acetyl-7-hydroxy-2-(2-methoxyphenyl)chromen-4-one, BRN 4266587
| Molecular Formula | C18H14O5 |
| Molecular Weight | 310.08414 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.08414 Da |
| Heavy Atoms | 23 |
| Complexity | 512.0 |
| SMILES | CC(=O)C1=C(C=C2C(=C1)C(=O)C=C(O2)C3=CC=CC=C3OC)O |
| InChIKey | XHFNHOCSZINNFR-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 4H-1-Benzopyran-4-one, 6-acetyl-7-hydroxy-2-(2-methoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-4-one, 6-acetyl-7-hydroxy-2-(2-methoxyphenyl)-. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 6-acetyl-7-hydroxy-2-(2-methoxyphenyl)- 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 4H-1-Benzopyran-4-one, 6-acetyl-7-hydroxy-2-(2-methoxyphenyl)- is 126412-03-1.
The molecular formula of 4H-1-Benzopyran-4-one, 6-acetyl-7-hydroxy-2-(2-methoxyphenyl)- is C18H14O5.
The molecular weight of 4H-1-Benzopyran-4-one, 6-acetyl-7-hydroxy-2-(2-methoxyphenyl)- is 310.08414 g/mol.
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