3-Methoxy-4-nitrobenzyl alcohol
TL;DR: 3-Methoxy-4-nitrobenzyl alcohol (CAS 80866-88-2) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxy-4-nitrophenyl)methanol
Also Known As: (3-Methoxy-4-nitrophenyl)methanol, 3-Methoxy-4-nitrobenzyl alcohol, 3-Methoxy-4-nitrobenzylalcohol, Benzenemethanol, 3-methoxy-4-nitro-, EINECS 279-593-5
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 80866-88-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CO)[N+](=O)[O-] |
| InChIKey | AADYWCBPJZAJNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxy-4-nitrobenzyl alcohol (CAS 80866-88-2), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: (3-methoxy-4-nitrophenyl)methanol.
Chemical Property Profile of 3-Methoxy-4-nitrobenzyl alcohol
Property Insights of 3-Methoxy-4-nitrobenzyl alcohol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-4-nitrobenzyl alcohol. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-4-nitrobenzyl alcohol. Following Lipinski's Rule of Five, 3-Methoxy-4-nitrobenzyl alcohol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methoxy-4-nitrobenzyl alcohol?
The CAS number of 3-Methoxy-4-nitrobenzyl alcohol is 80866-88-2.
What is the molecular formula of 3-Methoxy-4-nitrobenzyl alcohol?
The molecular formula of 3-Methoxy-4-nitrobenzyl alcohol is C8H9NO4.
What is the molecular weight of 3-Methoxy-4-nitrobenzyl alcohol?
The molecular weight of 3-Methoxy-4-nitrobenzyl alcohol is 183.05 g/mol.
Where can I buy 3-Methoxy-4-nitrobenzyl alcohol?
You can request a quote for 3-Methoxy-4-nitrobenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-4-nitrobenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-4-nitrobenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.