p-(Trifluoromethoxy)phenol
TL;DR: p-(Trifluoromethoxy)phenol (CAS 828-27-3) is a chemical compound with molecular formula C7H5F3O2 and molecular weight 178.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trifluoromethoxy)phenol
Also Known As: 4-(Trifluoromethoxy)phenol, p-Trifluoromethoxy phenol, 4-Trifluoromethoxyphenol, qr doxfff, p-(Trifluoromethoxy)phenol
| Molecular Formula | C7H5F3O2 |
|---|---|
| Molecular Weight | 178.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.02417 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 828-27-3 |
|---|---|
| SMILES | C1=CC(=CC=C1O)OC(F)(F)F |
| InChIKey | WDRJNKMAZMEYOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-(Trifluoromethoxy)phenol (CAS 828-27-3), with molecular formula C7H5F3O2 and molecular weight 178.02 g/mol. IUPAC: 4-(trifluoromethoxy)phenol.
Chemical Property Profile of p-(Trifluoromethoxy)phenol
Property Insights of p-(Trifluoromethoxy)phenol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-(Trifluoromethoxy)phenol. With a topological polar surface area (TPSA) of 29.5 Ų, p-(Trifluoromethoxy)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-(Trifluoromethoxy)phenol 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
Frequently Asked Questions
What is the CAS number of p-(Trifluoromethoxy)phenol?
The CAS number of p-(Trifluoromethoxy)phenol is 828-27-3.
What is the molecular formula of p-(Trifluoromethoxy)phenol?
The molecular formula of p-(Trifluoromethoxy)phenol is C7H5F3O2.
What is the molecular weight of p-(Trifluoromethoxy)phenol?
The molecular weight of p-(Trifluoromethoxy)phenol is 178.02 g/mol.
Where can I buy p-(Trifluoromethoxy)phenol?
You can request a quote for p-(Trifluoromethoxy)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-(Trifluoromethoxy)phenol?
Yes, KEHONG BIO provides custom synthesis services for p-(Trifluoromethoxy)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.