3-(Trifluoromethoxy)benzyl alcohol
TL;DR: 3-(Trifluoromethoxy)benzyl alcohol (CAS 508233-98-5) is a chemical compound with molecular formula C8H7F3O2 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethoxy)phenyl]methanol
Also Known As: 3-(Trifluoromethoxy)benzyl alcohol, (3-(Trifluoromethoxy)phenyl)methanol, [3-(Trifluoromethoxy)phenyl]methanol, 3-Trifluoromethoxybenzyl alcohol, m-Trifluoromethoxybenzyl alcohol
| Molecular Formula | C8H7F3O2 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.03981 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 508233-98-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)(F)F)CO |
| InChIKey | XRGSSROOYSFMMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethoxy)benzyl alcohol (CAS 508233-98-5), with molecular formula C8H7F3O2 and molecular weight 192.04 g/mol. IUPAC: [3-(trifluoromethoxy)phenyl]methanol.
Chemical Property Profile of 3-(Trifluoromethoxy)benzyl alcohol
Property Insights of 3-(Trifluoromethoxy)benzyl alcohol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Trifluoromethoxy)benzyl alcohol. With a topological polar surface area (TPSA) of 29.5 Ų, 3-(Trifluoromethoxy)benzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethoxy)benzyl alcohol 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 3-(Trifluoromethoxy)benzyl alcohol?
The CAS number of 3-(Trifluoromethoxy)benzyl alcohol is 508233-98-5.
What is the molecular formula of 3-(Trifluoromethoxy)benzyl alcohol?
The molecular formula of 3-(Trifluoromethoxy)benzyl alcohol is C8H7F3O2.
What is the molecular weight of 3-(Trifluoromethoxy)benzyl alcohol?
The molecular weight of 3-(Trifluoromethoxy)benzyl alcohol is 192.04 g/mol.
Where can I buy 3-(Trifluoromethoxy)benzyl alcohol?
You can request a quote for 3-(Trifluoromethoxy)benzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethoxy)benzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethoxy)benzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.