2-Isopropyl-4-nitrophenol
TL;DR: 2-Isopropyl-4-nitrophenol (CAS 60515-72-2) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-propan-2-ylphenol
Also Known As: 2-Isopropyl-4-nitrophenol, 4-nitro-2-propan-2-ylphenol, Methyl 3-benzoylpropionate, 2-isopropyl-4-nitro phenol, 2-isopropyl-4-nitro-phenol
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 60515-72-2 |
|---|---|
| SMILES | CC(C)C1=C(C=CC(=C1)[N+](=O)[O-])O |
| InChIKey | YVSKFUMSIJTGTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropyl-4-nitrophenol (CAS 60515-72-2), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 4-nitro-2-propan-2-ylphenol.
Chemical Property Profile of 2-Isopropyl-4-nitrophenol
Property Insights of 2-Isopropyl-4-nitrophenol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropyl-4-nitrophenol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isopropyl-4-nitrophenol. Following Lipinski's Rule of Five, 2-Isopropyl-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-4-nitrophenol?
The CAS number of 2-Isopropyl-4-nitrophenol is 60515-72-2.
What is the molecular formula of 2-Isopropyl-4-nitrophenol?
The molecular formula of 2-Isopropyl-4-nitrophenol is C9H11NO3.
What is the molecular weight of 2-Isopropyl-4-nitrophenol?
The molecular weight of 2-Isopropyl-4-nitrophenol is 181.07 g/mol.
Where can I buy 2-Isopropyl-4-nitrophenol?
You can request a quote for 2-Isopropyl-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-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.