2,3,4-Trimethylphenol
TL;DR: 2,3,4-Trimethylphenol (CAS 526-85-2) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4-trimethylphenol
Also Known As: 2,3,4-Trimethylphenol, Trimethylphenol, Phenol, trimethyl-, Phenol, 2,3,4-trimethyl-, 2,3,4-HEMIMELLITENOL
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 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 | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 526-85-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)O)C)C |
| InChIKey | XRUGBBIQLIVCSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4-Trimethylphenol (CAS 526-85-2), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 2,3,4-trimethylphenol.
Chemical Property Profile of 2,3,4-Trimethylphenol
Property Insights of 2,3,4-Trimethylphenol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Trimethylphenol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,3,4-Trimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-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 2,3,4-Trimethylphenol?
The CAS number of 2,3,4-Trimethylphenol is 526-85-2.
What is the molecular formula of 2,3,4-Trimethylphenol?
The molecular formula of 2,3,4-Trimethylphenol is C9H12O.
What is the molecular weight of 2,3,4-Trimethylphenol?
The molecular weight of 2,3,4-Trimethylphenol is 136.09 g/mol.
Where can I buy 2,3,4-Trimethylphenol?
You can request a quote for 2,3,4-Trimethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Trimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.