TL;DR: 2-Methoxy-4-nitrophenol (CAS 3251-56-7) is a chemical compound with molecular formula C7H7NO4 and molecular weight 169.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-4-nitrophenol
Also Known As: 2-Methoxy-4-nitrophenol, 4-Nitroguaiacol, Phenol, 2-methoxy-4-nitro-, Guaiacol, 4-nitro-, Mononitro guaiacol
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.0375 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.0375 Da |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])O |
| InChIKey | IZLVFLOBTPURLP-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4-nitrophenol. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxy-4-nitrophenol. Following Lipinski's Rule of Five, 2-Methoxy-4-nitrophenol has 1 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 2-Methoxy-4-nitrophenol is 3251-56-7.
The molecular formula of 2-Methoxy-4-nitrophenol is C7H7NO4.
The molecular weight of 2-Methoxy-4-nitrophenol is 169.0375 g/mol.
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