![4-[(1E)-2-Nitroethenyl]phenol structure](/static/products/317/317-98-6.png)
4-[(1E)-2-Nitroethenyl]phenol
TL;DR: 4-[(1E)-2-Nitroethenyl]phenol (CAS 317-98-6) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-nitroethenyl]phenol
Also Known As: 4-(2-nitrovinyl)phenol, 4-Hydroxy-b-nitrostyrene, (E)-4-(2-nitrovinyl)phenol, 4-hydroxy-beta-nitrostyrene, 4-[(E)-2-Nitroethenyl]phenol
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 317-98-6 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/[N+](=O)[O-])O |
| InChIKey | CTJKRKMPTRJAIT-AATRIKPKSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(1E)-2-Nitroethenyl]phenol (CAS 317-98-6), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: 4-[(E)-2-nitroethenyl]phenol.
Chemical Property Profile of 4-[(1E)-2-Nitroethenyl]phenol
Property Insights of 4-[(1E)-2-Nitroethenyl]phenol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1E)-2-Nitroethenyl]phenol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1E)-2-Nitroethenyl]phenol. Following Lipinski's Rule of Five, 4-[(1E)-2-Nitroethenyl]phenol 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 4-[(1E)-2-Nitroethenyl]phenol?
The CAS number of 4-[(1E)-2-Nitroethenyl]phenol is 317-98-6.
What is the molecular formula of 4-[(1E)-2-Nitroethenyl]phenol?
The molecular formula of 4-[(1E)-2-Nitroethenyl]phenol is C8H7NO3.
What is the molecular weight of 4-[(1E)-2-Nitroethenyl]phenol?
The molecular weight of 4-[(1E)-2-Nitroethenyl]phenol is 165.04 g/mol.
Where can I buy 4-[(1E)-2-Nitroethenyl]phenol?
You can request a quote for 4-[(1E)-2-Nitroethenyl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1E)-2-Nitroethenyl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-2-Nitroethenyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.