About 2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol (PubChem CID 10683160) has the molecular formula C15H13F3O
and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol.
Molecular Properties
| Compound Name | 2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol |
| PubChem CID | 10683160 |
| Molecular Formula | C15H13F3O |
| Molecular Weight | 266.26 g/mol |
| Exact Mass | 266.09 |
| IUPAC Name | 2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol |
| SMILES | OCCc1ccc(-c2cccc(C(F)(F)F)c2)cc1 |
| InChI | InChI=1S/C15H13F3O/c16-15(17,18)14-3-1-2-13(10-14)12-6-4-11(5-7-12)8-9-19/h1-7,10,19H,8-9H2 |
| InChIKey | RIRGMMRKSNLASS-UHFFFAOYSA-N |
| XLogP | 3.91 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 266.26 |
| LogP ≤ 5 | 3.91 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol?
The IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol (CID 10683160) is 2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol is OCCc1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol?
The InChIKey is RIRGMMRKSNLASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c16-15(17,18)14-3-1-2-13(10-14)12-6-4-11(5-7-12)8-9-19/h1-7,10,19H,8-9H2.
What are the key properties of 2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol?
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol has a molecular weight of 266.26 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol is sourced from PubChem (CID 10683160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).