3-Methyl-4-nitrobenzyl alcohol
TL;DR: 3-Methyl-4-nitrobenzyl alcohol (CAS 80866-75-7) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-4-nitrophenyl)methanol
Also Known As: 3-Methyl-4-nitrobenzyl alcohol, (3-Methyl-4-nitrophenyl)methanol, Mangiferin, Benzenemethanol, 3-methyl-4-nitro-, 3-Methyl-4-nitrobenzenemethanol
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 80866-75-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)CO)[N+](=O)[O-] |
| InChIKey | KOVQGYQQVNCUBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-4-nitrobenzyl alcohol (CAS 80866-75-7), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: (3-methyl-4-nitrophenyl)methanol.
Chemical Property Profile of 3-Methyl-4-nitrobenzyl alcohol
Property Insights of 3-Methyl-4-nitrobenzyl alcohol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-nitrobenzyl alcohol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-nitrobenzyl alcohol. Following Lipinski's Rule of Five, 3-Methyl-4-nitrobenzyl alcohol has 1 hydrogen bond donor(s) and 3 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-Methyl-4-nitrobenzyl alcohol?
The CAS number of 3-Methyl-4-nitrobenzyl alcohol is 80866-75-7.
What is the molecular formula of 3-Methyl-4-nitrobenzyl alcohol?
The molecular formula of 3-Methyl-4-nitrobenzyl alcohol is C8H9NO3.
What is the molecular weight of 3-Methyl-4-nitrobenzyl alcohol?
The molecular weight of 3-Methyl-4-nitrobenzyl alcohol is 167.06 g/mol.
Where can I buy 3-Methyl-4-nitrobenzyl alcohol?
You can request a quote for 3-Methyl-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-Methyl-4-nitrobenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-nitrobenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.