3-Chloromethyl-2,4,6-trimethylphenol
TL;DR: 3-Chloromethyl-2,4,6-trimethylphenol (CAS 99187-90-3) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-2,4,6-trimethylphenol
Also Known As: Chlormethylmesitol, 3-(chloromethyl)-2,4,6-trimethylphenol, 2,4,6-Trimethyl-3-(chloromethyl)phenol, 3-CHLOROMETHYL-2,4,6-TRIMETHYLPHENOL, 3-(chloromethyl)-2,4,6-trimethyl-phenol
| Molecular Formula | C10H13ClO |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 3.05626 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06549 |
| Heavy Atoms | 12 |
| Complexity | 305.19714 |
Chemical Identifiers
| CAS Number | 99187-90-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CCl)C)O)C |
Product Overview
3-Chloromethyl-2,4,6-trimethylphenol (CAS 99187-90-3), with molecular formula C10H13ClO and molecular weight 184.07 g/mol. IUPAC: 3-(chloromethyl)-2,4,6-trimethylphenol.
Chemical Property Profile of 3-Chloromethyl-2,4,6-trimethylphenol
Property Insights of 3-Chloromethyl-2,4,6-trimethylphenol
The XLogP value of 3.05626 indicates that 3-Chloromethyl-2,4,6-trimethylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 3-Chloromethyl-2,4,6-trimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloromethyl-2,4,6-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 3-Chloromethyl-2,4,6-trimethylphenol?
The CAS number of 3-Chloromethyl-2,4,6-trimethylphenol is 99187-90-3.
What is the molecular formula of 3-Chloromethyl-2,4,6-trimethylphenol?
The molecular formula of 3-Chloromethyl-2,4,6-trimethylphenol is C10H13ClO.
What is the molecular weight of 3-Chloromethyl-2,4,6-trimethylphenol?
The molecular weight of 3-Chloromethyl-2,4,6-trimethylphenol is 184.07 g/mol.
Where can I buy 3-Chloromethyl-2,4,6-trimethylphenol?
You can request a quote for 3-Chloromethyl-2,4,6-trimethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloromethyl-2,4,6-trimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloromethyl-2,4,6-trimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.