TL;DR: 2H-1-Benzopyran-2-one, 4-(5-chloro-2-benzofuranyl)-6-methoxy- (CAS 108154-50-3) is a chemical compound with molecular formula C18H11ClO4 and molecular weight 326.03458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-chloro-1-benzofuran-2-yl)-6-methoxychromen-2-one
Also Known As: 2H-1-Benzopyran-2-one, 4-(5-chloro-2-benzofuranyl)-6-methoxy-, 4-(5-Chloro-2-benzofuranyl)-6-methoxy-2H-1-benzopyran-2-one, 4-(5-chloro-1-benzofuran-2-yl)-6-methoxychromen-2-one, 4-(5-Chloro-1-benzofuran-2-yl)-6-methoxy-2H-1-benzopyran-2-one, BRN 5609532
| Molecular Formula | C18H11ClO4 |
| Molecular Weight | 326.03458 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.03458 Da |
| Heavy Atoms | 23 |
| Complexity | 505.0 |
| SMILES | COC1=CC2=C(C=C1)OC(=O)C=C2C3=CC4=C(O3)C=CC(=C4)Cl |
| InChIKey | QVONBZMEASGVGX-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 2H-1-Benzopyran-2-one, 4-(5-chloro-2-benzofuranyl)-6-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.7 Ų, 2H-1-Benzopyran-2-one, 4-(5-chloro-2-benzofuranyl)-6-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 4-(5-chloro-2-benzofuranyl)-6-methoxy- has 0 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 2H-1-Benzopyran-2-one, 4-(5-chloro-2-benzofuranyl)-6-methoxy- is 108154-50-3.
The molecular formula of 2H-1-Benzopyran-2-one, 4-(5-chloro-2-benzofuranyl)-6-methoxy- is C18H11ClO4.
The molecular weight of 2H-1-Benzopyran-2-one, 4-(5-chloro-2-benzofuranyl)-6-methoxy- is 326.03458 g/mol.
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