4-Chloro-2,3,6-trimethylphenol
TL;DR: 4-Chloro-2,3,6-trimethylphenol (CAS 82029-01-4) is a chemical compound with molecular formula C9H11ClO and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,3,6-trimethylphenol
Also Known As: 4-chloro-2,3,6-trimethylphenol, Phenol,3,6-trimethyl-, Phenol, 4-chloro-2,3,6-trimethyl-, 2,3,6-trimethyl-4-chlorophenol, Phenol,4-chloro-2,3,6-trimethyl
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 82029-01-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1O)C)C)Cl |
| InChIKey | XNQJHONAJJVDKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2,3,6-trimethylphenol (CAS 82029-01-4), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: 4-chloro-2,3,6-trimethylphenol.
Chemical Property Profile of 4-Chloro-2,3,6-trimethylphenol
Property Insights of 4-Chloro-2,3,6-trimethylphenol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,3,6-trimethylphenol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Chloro-2,3,6-trimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2,3,6-trimethylphenol 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 4-Chloro-2,3,6-trimethylphenol?
The CAS number of 4-Chloro-2,3,6-trimethylphenol is 82029-01-4.
What is the molecular formula of 4-Chloro-2,3,6-trimethylphenol?
The molecular formula of 4-Chloro-2,3,6-trimethylphenol is C9H11ClO.
What is the molecular weight of 4-Chloro-2,3,6-trimethylphenol?
The molecular weight of 4-Chloro-2,3,6-trimethylphenol is 170.05 g/mol.
Where can I buy 4-Chloro-2,3,6-trimethylphenol?
You can request a quote for 4-Chloro-2,3,6-trimethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,3,6-trimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,3,6-trimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.