TL;DR: 6-Nitroveratryl alcohol (CAS 1016-58-6) is a chemical compound with molecular formula C9H11NO5 and molecular weight 213.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4,5-dimethoxy-2-nitrophenyl)methanol
Also Known As: 4,5-Dimethoxy-2-nitrobenzyl alcohol, 6-Nitroveratryl alcohol, (4,5-dimethoxy-2-nitrophenyl)methanol, 6-nitroveratrylalcohol, Benzenemethanol, 4,5-dimethoxy-2-nitro-
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H11NO5 |
| Molecular Weight | 213.06372 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.06372 Da |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
| SMILES | COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OC |
| InChIKey | WBSCOJBVYHQOFB-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitroveratryl alcohol. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitroveratryl alcohol. Following Lipinski's Rule of Five, 6-Nitroveratryl alcohol 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 6-Nitroveratryl alcohol is 1016-58-6.
The molecular formula of 6-Nitroveratryl alcohol is C9H11NO5.
The molecular weight of 6-Nitroveratryl alcohol is 213.06372 g/mol.
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