Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl-
TL;DR: Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl- (CAS 70766-53-9) 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.
4-tert-butyl-2,3,6-trimethylphenol
Also Known As: 2,3,6-Trimethyl-4-tert-butylphenol, 4-tert-butyl-2,3,6-trimethylphenol, Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl-, 4-(tert-Butyl)-2,3,6-trimethylphenol, 4-(1,1-Dimethylethyl)-2,3,6-trimethylphenol
| 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 | 1 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 70766-53-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1O)C)C)C(C)(C)C |
| InChIKey | RYOYKAIHYPDPGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl- (CAS 70766-53-9), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 4-tert-butyl-2,3,6-trimethylphenol.
Chemical Property Profile of Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl-
Property Insights of Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl-
The XLogP value of 4.3 indicates that Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl- 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 Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl-?
The CAS number of Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl- is 70766-53-9.
What is the molecular formula of Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl-?
The molecular formula of Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl- is C13H20O.
What is the molecular weight of Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl-?
The molecular weight of Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl- is 192.15 g/mol.
Where can I buy Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl-?
You can request a quote for Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-(1,1-dimethylethyl)-2,3,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.