2,6-Diisopropyl-3-methylphenol
TL;DR: 2,6-Diisopropyl-3-methylphenol (CAS 28434-93-7) 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.
3-methyl-2,6-di(propan-2-yl)phenol
Also Known As: 2,6-Diisopropyl-3-methylphenol, 2,6-Diisopropyl-m-cresol, 3-methyl-2,6-di(propan-2-yl)phenol, Phenol, 2,6-diisopropyl-3-methyl-, 2,6-Diisopropyl-5-methylphenol
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 4.2 |
| 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 | 174.0 |
Chemical Identifiers
| CAS Number | 28434-93-7 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)O)C(C)C |
| InChIKey | KEGGEHPMMDYTGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Diisopropyl-3-methylphenol (CAS 28434-93-7), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 3-methyl-2,6-di(propan-2-yl)phenol.
Chemical Property Profile of 2,6-Diisopropyl-3-methylphenol
Property Insights of 2,6-Diisopropyl-3-methylphenol
The XLogP value of 4.2 indicates that 2,6-Diisopropyl-3-methylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,6-Diisopropyl-3-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Diisopropyl-3-methylphenol 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 2,6-Diisopropyl-3-methylphenol?
The CAS number of 2,6-Diisopropyl-3-methylphenol is 28434-93-7.
What is the molecular formula of 2,6-Diisopropyl-3-methylphenol?
The molecular formula of 2,6-Diisopropyl-3-methylphenol is C13H20O.
What is the molecular weight of 2,6-Diisopropyl-3-methylphenol?
The molecular weight of 2,6-Diisopropyl-3-methylphenol is 192.15 g/mol.
Where can I buy 2,6-Diisopropyl-3-methylphenol?
You can request a quote for 2,6-Diisopropyl-3-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diisopropyl-3-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diisopropyl-3-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.