3-Nitrophenylethyl alcohol
TL;DR: 3-Nitrophenylethyl alcohol (CAS 52022-77-2) 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.
2-(3-nitrophenyl)ethanol
Also Known As: 2-(3-Nitrophenyl)ethanol, 3-Nitrophenethyl alcohol, 3-Nitrobenzeneethanol, Benzeneethanol, 3-nitro-, 2-(3-nitrophenyl)ethan-1-ol
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 52022-77-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CCO |
| InChIKey | PWZWTSYUZQZFKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrophenylethyl alcohol (CAS 52022-77-2), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 2-(3-nitrophenyl)ethanol.
Chemical Property Profile of 3-Nitrophenylethyl alcohol
Property Insights of 3-Nitrophenylethyl alcohol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrophenylethyl alcohol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenylethyl alcohol. Following Lipinski's Rule of Five, 3-Nitrophenylethyl 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-Nitrophenylethyl alcohol?
The CAS number of 3-Nitrophenylethyl alcohol is 52022-77-2.
What is the molecular formula of 3-Nitrophenylethyl alcohol?
The molecular formula of 3-Nitrophenylethyl alcohol is C8H9NO3.
What is the molecular weight of 3-Nitrophenylethyl alcohol?
The molecular weight of 3-Nitrophenylethyl alcohol is 167.06 g/mol.
Where can I buy 3-Nitrophenylethyl alcohol?
You can request a quote for 3-Nitrophenylethyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophenylethyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenylethyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.