2-Nitro-4-(propan-2-yl)phenol
TL;DR: 2-Nitro-4-(propan-2-yl)phenol (CAS 1576-10-9) 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.
2-nitro-4-propan-2-ylphenol
Also Known As: 4-isopropyl-2-nitrophenol, 2-nitro-4-(propan-2-yl)phenol, 2-nitro-4-propan-2-ylphenol, Phenol, 4-(1-methylethyl)-2-nitro, 2-Nitro-4-isopropylphenol
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 3.3 |
| 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 | 1576-10-9 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | QYODOKUESLGDSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-4-(propan-2-yl)phenol (CAS 1576-10-9), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 2-nitro-4-propan-2-ylphenol.
Chemical Property Profile of 2-Nitro-4-(propan-2-yl)phenol
Property Insights of 2-Nitro-4-(propan-2-yl)phenol
The XLogP value of 3.3 indicates that 2-Nitro-4-(propan-2-yl)phenol 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-Nitro-4-(propan-2-yl)phenol. Following Lipinski's Rule of Five, 2-Nitro-4-(propan-2-yl)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 2-Nitro-4-(propan-2-yl)phenol?
The CAS number of 2-Nitro-4-(propan-2-yl)phenol is 1576-10-9.
What is the molecular formula of 2-Nitro-4-(propan-2-yl)phenol?
The molecular formula of 2-Nitro-4-(propan-2-yl)phenol is C9H11NO3.
What is the molecular weight of 2-Nitro-4-(propan-2-yl)phenol?
The molecular weight of 2-Nitro-4-(propan-2-yl)phenol is 181.07 g/mol.
Where can I buy 2-Nitro-4-(propan-2-yl)phenol?
You can request a quote for 2-Nitro-4-(propan-2-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-4-(propan-2-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4-(propan-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.