2-Isopropyl-6-tert-butylphenol
TL;DR: 2-Isopropyl-6-tert-butylphenol (CAS 22791-95-3) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-6-propan-2-ylphenol
Also Known As: 2-Isopropyl-6-tert-butylphenol, 2-tert-Butyl-6-isopropylphenol, 2-t-butyl-6-isopropylphenol, 2-tert-butyl-6-propan-2-ylphenol, 2-(1,1-Dimethylethyl)-6-(1-methylethyl)phenol
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 22791-95-3 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)(C)C)O |
| InChIKey | LBLLGKZRDSWOJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropyl-6-tert-butylphenol (CAS 22791-95-3), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 2-tert-butyl-6-propan-2-ylphenol.
Chemical Property Profile of 2-Isopropyl-6-tert-butylphenol
Property Insights of 2-Isopropyl-6-tert-butylphenol
The XLogP value of 4.3 indicates that 2-Isopropyl-6-tert-butylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Isopropyl-6-tert-butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-6-tert-butylphenol has 1 hydrogen bond donor(s) and 1 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-6-tert-butylphenol?
The CAS number of 2-Isopropyl-6-tert-butylphenol is 22791-95-3.
What is the molecular formula of 2-Isopropyl-6-tert-butylphenol?
The molecular formula of 2-Isopropyl-6-tert-butylphenol is C13H20O.
What is the molecular weight of 2-Isopropyl-6-tert-butylphenol?
The molecular weight of 2-Isopropyl-6-tert-butylphenol is 192.15 g/mol.
Where can I buy 2-Isopropyl-6-tert-butylphenol?
You can request a quote for 2-Isopropyl-6-tert-butylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-6-tert-butylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-6-tert-butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.