4-Methyl-3-(2,2,2-trichloroethyl)phenol
TL;DR: 4-Methyl-3-(2,2,2-trichloroethyl)phenol (CAS 42604-12-6) is a chemical compound with molecular formula C9H9Cl3O and molecular weight 237.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(2,2,2-trichloroethyl)phenol
Also Known As: 4-methyl-3-(2,2,2-trichloroethyl)phenol, NCIOpen2_007245, DOI hydrochloride,4-Iodo-2,5-dimethoxy-, A-methylbenzeneethanaminehydrochloride
| Molecular Formula | C9H9Cl3O |
|---|---|
| Molecular Weight | 237.97 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.9719 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 42604-12-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)O)CC(Cl)(Cl)Cl |
| InChIKey | CTYFAVIJZRCVAI-UHFFFAOYSA-N |
Product Overview
4-Methyl-3-(2,2,2-trichloroethyl)phenol (CAS 42604-12-6), with molecular formula C9H9Cl3O and molecular weight 237.97 g/mol. IUPAC: 4-methyl-3-(2,2,2-trichloroethyl)phenol.
Chemical Property Profile of 4-Methyl-3-(2,2,2-trichloroethyl)phenol
Property Insights of 4-Methyl-3-(2,2,2-trichloroethyl)phenol
The XLogP value of 4.0 indicates that 4-Methyl-3-(2,2,2-trichloroethyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Methyl-3-(2,2,2-trichloroethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-(2,2,2-trichloroethyl)phenol 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-Methyl-3-(2,2,2-trichloroethyl)phenol?
The CAS number of 4-Methyl-3-(2,2,2-trichloroethyl)phenol is 42604-12-6.
What is the molecular formula of 4-Methyl-3-(2,2,2-trichloroethyl)phenol?
The molecular formula of 4-Methyl-3-(2,2,2-trichloroethyl)phenol is C9H9Cl3O.
What is the molecular weight of 4-Methyl-3-(2,2,2-trichloroethyl)phenol?
The molecular weight of 4-Methyl-3-(2,2,2-trichloroethyl)phenol is 237.97 g/mol.
Where can I buy 4-Methyl-3-(2,2,2-trichloroethyl)phenol?
You can request a quote for 4-Methyl-3-(2,2,2-trichloroethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-(2,2,2-trichloroethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-(2,2,2-trichloroethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.