TL;DR: 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(2-methoxyphenoxy)- (CAS 137988-17-1) is a chemical compound with molecular formula C18H14O6 and molecular weight 326.07904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(2-methoxyphenoxy)-4-oxochromen-7-yl] acetate
Also Known As: 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(2-methoxyphenoxy)-, 7-(Acetyloxy)-3-(2-methoxyphenoxy)-4H-1-benzopyran-4-one, 3-(2-methoxyphenoxy)-4-oxo-4H-chromen-7-yl acetate, [3-(2-methoxyphenoxy)-4-oxochromen-7-yl] acetate, 3-(2-Methoxyphenoxy)-4-oxo-4H-1-benzopyran-7-yl acetate
| Molecular Formula | C18H14O6 |
| Molecular Weight | 326.07904 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.07904 Da |
| Heavy Atoms | 24 |
| Complexity | 514.0 |
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3OC |
| InChIKey | BVXYZSRPGUKHHV-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(2-methoxyphenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(2-methoxyphenoxy)-. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(2-methoxyphenoxy)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(2-methoxyphenoxy)- is 137988-17-1.
The molecular formula of 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(2-methoxyphenoxy)- is C18H14O6.
The molecular weight of 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(2-methoxyphenoxy)- is 326.07904 g/mol.
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