3,5-Dimethyl-4-nitrophenol
TL;DR: 3,5-Dimethyl-4-nitrophenol (CAS 5344-97-8) 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.
3,5-dimethyl-4-nitrophenol
Also Known As: 3,5-DIMETHYL-4-NITROPHENOL, 3,5-Xylenol, 4-nitro-, 3,5-dimethyl-4-nitro-phenol, 3,5-Xylenol, 4-nitro-,, Phenol, 3,5-dimethyl-4-nitro-
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 5344-97-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1[N+](=O)[O-])C)O |
| InChIKey | MMLPWOHLKRXZJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-4-nitrophenol (CAS 5344-97-8), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 3,5-dimethyl-4-nitrophenol.
Chemical Property Profile of 3,5-Dimethyl-4-nitrophenol
Property Insights of 3,5-Dimethyl-4-nitrophenol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-nitrophenol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-nitrophenol. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-nitrophenol 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 3,5-Dimethyl-4-nitrophenol?
The CAS number of 3,5-Dimethyl-4-nitrophenol is 5344-97-8.
What is the molecular formula of 3,5-Dimethyl-4-nitrophenol?
The molecular formula of 3,5-Dimethyl-4-nitrophenol is C8H9NO3.
What is the molecular weight of 3,5-Dimethyl-4-nitrophenol?
The molecular weight of 3,5-Dimethyl-4-nitrophenol is 167.06 g/mol.
Where can I buy 3,5-Dimethyl-4-nitrophenol?
You can request a quote for 3,5-Dimethyl-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.