2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol
TL;DR: 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol (CAS 10396-84-6) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-6-methyl-4-nitrophenol
Also Known As: 2-tert-butyl-6-methyl-4-nitrophenol, 6-t-butyl-4-nitro-o-cresol, 2-tert-butyl-4-nitro-6-methylphenol, 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol, AE-562/12222826
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 2.90632 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 405.02945 |
Chemical Identifiers
| CAS Number | 10396-84-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(C)(C)C)[N+](=O)[O-] |
Product Overview
2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol (CAS 10396-84-6), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: 2-tert-butyl-6-methyl-4-nitrophenol.
Chemical Property Profile of 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol
Property Insights of 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol
The XLogP value of 2.90632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol. Following Lipinski's Rule of Five, 2-(1,1-Dimethylethyl)-6-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-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol?
The CAS number of 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol is 10396-84-6.
What is the molecular formula of 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol?
The molecular formula of 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol is C11H15NO3.
What is the molecular weight of 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol?
The molecular weight of 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol is 209.11 g/mol.
Where can I buy 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol?
You can request a quote for 2-(1,1-Dimethylethyl)-6-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-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-Dimethylethyl)-6-methyl-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.