TL;DR: (7-Methoxy-1-benzofuran-2-yl)(4-nitrophenyl)methanol (CAS 117238-84-3) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7-methoxy-1-benzofuran-2-yl)-(4-nitrophenyl)methanol
Also Known As: 7-Methoxy-alpha-(4-nitrophenyl)-2-benzofuranmethanol, 2-Benzofuranmethanol, 7-methoxy-alpha-(4-nitrophenyl)-, (7-Methoxy-1-benzofuran-2-yl)(4-nitrophenyl)methanol, (7-Methoxy-1-benzo[b]furan-2-yl)(4-nitrophenyl)methanol, (7-methoxy-1-benzofuran-2-yl)-(4-nitrophenyl)methanol
| Molecular Formula | C16H13NO5 |
| Molecular Weight | 299.07938 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.07938 Da |
| Heavy Atoms | 22 |
| Complexity | 390.0 |
| SMILES | COC1=CC=CC2=C1OC(=C2)C(C3=CC=C(C=C3)[N+](=O)[O-])O |
| InChIKey | QOSOLPHYDKDOFL-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that (7-Methoxy-1-benzofuran-2-yl)(4-nitrophenyl)methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (7-Methoxy-1-benzofuran-2-yl)(4-nitrophenyl)methanol. Following Lipinski's Rule of Five, (7-Methoxy-1-benzofuran-2-yl)(4-nitrophenyl)methanol 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 (7-Methoxy-1-benzofuran-2-yl)(4-nitrophenyl)methanol is 117238-84-3.
The molecular formula of (7-Methoxy-1-benzofuran-2-yl)(4-nitrophenyl)methanol is C16H13NO5.
The molecular weight of (7-Methoxy-1-benzofuran-2-yl)(4-nitrophenyl)methanol is 299.07938 g/mol.
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