2-Isopropyl-5-methyl-4-nitrophenol
TL;DR: 2-Isopropyl-5-methyl-4-nitrophenol (CAS 36778-56-0) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitro-2-propan-2-ylphenol
Also Known As: 2-isopropyl-5-methyl-4-nitrophenol, 5-methyl-4-nitro-2-(propan-2-yl)phenol, 5-methyl-4-nitro-2-propan-2-ylphenol, 2-isopropyl-5-methyl-4-nitro-phenol, 5-methyl-2-(methylethyl)-4-nitrophenol
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 36778-56-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])C(C)C)O |
| InChIKey | OGPLVXFNLLOORV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropyl-5-methyl-4-nitrophenol (CAS 36778-56-0), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: 5-methyl-4-nitro-2-propan-2-ylphenol.
Chemical Property Profile of 2-Isopropyl-5-methyl-4-nitrophenol
Property Insights of 2-Isopropyl-5-methyl-4-nitrophenol
The XLogP value of 3.1 indicates that 2-Isopropyl-5-methyl-4-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isopropyl-5-methyl-4-nitrophenol. Following Lipinski's Rule of Five, 2-Isopropyl-5-methyl-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 2-Isopropyl-5-methyl-4-nitrophenol?
The CAS number of 2-Isopropyl-5-methyl-4-nitrophenol is 36778-56-0.
What is the molecular formula of 2-Isopropyl-5-methyl-4-nitrophenol?
The molecular formula of 2-Isopropyl-5-methyl-4-nitrophenol is C10H13NO3.
What is the molecular weight of 2-Isopropyl-5-methyl-4-nitrophenol?
The molecular weight of 2-Isopropyl-5-methyl-4-nitrophenol is 195.09 g/mol.
Where can I buy 2-Isopropyl-5-methyl-4-nitrophenol?
You can request a quote for 2-Isopropyl-5-methyl-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-5-methyl-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-methyl-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.