3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate
TL;DR: 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate (CAS 50594-77-9) is a chemical compound with molecular formula C15H10ClF3O3 and molecular weight 330.02707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl] acetate
Also Known As: 3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl acetate, 2-Chloro-4-trifluoromethyl-3'-acetoxydiphenyl ether, 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate, 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol acetate, Phenol, 3-(2-chloro-4-(trifluoromethyl)phenoxy)-, acetate
Technical Specifications
| Molecular Formula | C15H10ClF3O3 |
| Molecular Weight | 330.02707 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.02707 Da |
| Heavy Atoms | 22 |
| Complexity | 389.0 |
| SMILES | CC(=O)OC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl |
| InChIKey | KNFRYRRZMRETJX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate
Property Insights of 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate
The XLogP value of 4.7 indicates that 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate?
The CAS number of 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate is 50594-77-9.
What is the molecular formula of 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate?
The molecular formula of 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate is C15H10ClF3O3.
What is the molecular weight of 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate?
The molecular weight of 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate is 330.02707 g/mol.
Where can I buy 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate?
You can request a quote for 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate?
Yes, CoreyChem provides custom synthesis services for 3-(2-Chloro-4-(trifluoromethyl)phenoxy)phenol 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.