2-METHYL-4-tert-HEXYLPHENOL
TL;DR: 2-METHYL-4-tert-HEXYLPHENOL (CAS 6793-80-2) 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-methyl-4-(3-methylpentan-3-yl)phenol
Also Known As: 2-METHYL-4-tert-HEXYLPHENOL, 2-methyl-4-(3-methylpentan-3-yl)phenol, 4-(1-Ethyl-1-methylpropyl)-o-cresol, Phenol, 4-(1,1-dimethylbutyl)-2-methyl-, Phenol, 4-(1-ethyl-1-methylpropyl)-2-methyl-
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 6793-80-2 |
|---|---|
| SMILES | CCC(C)(CC)C1=CC(=C(C=C1)O)C |
| InChIKey | YAHLKNBZQFSSCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-METHYL-4-tert-HEXYLPHENOL (CAS 6793-80-2), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 2-methyl-4-(3-methylpentan-3-yl)phenol.
Chemical Property Profile of 2-METHYL-4-tert-HEXYLPHENOL
Property Insights of 2-METHYL-4-tert-HEXYLPHENOL
The XLogP value of 4.7 indicates that 2-METHYL-4-tert-HEXYLPHENOL 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-METHYL-4-tert-HEXYLPHENOL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-METHYL-4-tert-HEXYLPHENOL 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-METHYL-4-tert-HEXYLPHENOL?
The CAS number of 2-METHYL-4-tert-HEXYLPHENOL is 6793-80-2.
What is the molecular formula of 2-METHYL-4-tert-HEXYLPHENOL?
The molecular formula of 2-METHYL-4-tert-HEXYLPHENOL is C13H20O.
What is the molecular weight of 2-METHYL-4-tert-HEXYLPHENOL?
The molecular weight of 2-METHYL-4-tert-HEXYLPHENOL is 192.15 g/mol.
Where can I buy 2-METHYL-4-tert-HEXYLPHENOL?
You can request a quote for 2-METHYL-4-tert-HEXYLPHENOL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-METHYL-4-tert-HEXYLPHENOL?
Yes, KEHONG BIO provides custom synthesis services for 2-METHYL-4-tert-HEXYLPHENOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.