4-Hydroxy-2,3,6-trifluoroanisole
TL;DR: 4-Hydroxy-2,3,6-trifluoroanisole (CAS 1025926-03-7) is a chemical compound with molecular formula C7H5F3O2 and molecular weight 178.02417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,5-trifluoro-4-methoxyphenol
Also Known As: 4-Hydroxy-2,3,6-trifluoroanisole, 2,3,5-trifluoro-4-methoxy-phenol
Technical Specifications
| Molecular Formula | C7H5F3O2 |
| Molecular Weight | 178.02417 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.02417 Da |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| SMILES | COC1=C(C=C(C(=C1F)F)O)F |
| InChIKey | JRLLKOUGKYJYSG-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxy-2,3,6-trifluoroanisole
Property Insights of 4-Hydroxy-2,3,6-trifluoroanisole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2,3,6-trifluoroanisole. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Hydroxy-2,3,6-trifluoroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2,3,6-trifluoroanisole has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Hydroxy-2,3,6-trifluoroanisole?
The CAS number of 4-Hydroxy-2,3,6-trifluoroanisole is 1025926-03-7.
What is the molecular formula of 4-Hydroxy-2,3,6-trifluoroanisole?
The molecular formula of 4-Hydroxy-2,3,6-trifluoroanisole is C7H5F3O2.
What is the molecular weight of 4-Hydroxy-2,3,6-trifluoroanisole?
The molecular weight of 4-Hydroxy-2,3,6-trifluoroanisole is 178.02417 g/mol.
Where can I buy 4-Hydroxy-2,3,6-trifluoroanisole?
You can request a quote for 4-Hydroxy-2,3,6-trifluoroanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxy-2,3,6-trifluoroanisole?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxy-2,3,6-trifluoroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.