About 4-[2-(2-fluorophenoxy)ethyl]phenol
4-[2-(2-fluorophenoxy)ethyl]phenol (PubChem CID 154643282) has the molecular formula C14H13FO2
and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-[2-(2-fluorophenoxy)ethyl]phenol.
Molecular Properties
| Compound Name | 4-[2-(2-fluorophenoxy)ethyl]phenol |
| PubChem CID | 154643282 |
| Molecular Formula | C14H13FO2 |
| Molecular Weight | 232.25 g/mol |
| Exact Mass | 232.09 |
| IUPAC Name | 4-[2-(2-fluorophenoxy)ethyl]phenol |
| SMILES | Oc1ccc(CCOc2ccccc2F)cc1 |
| InChI | InChI=1S/C14H13FO2/c15-13-3-1-2-4-14(13)17-10-9-11-5-7-12(16)8-6-11/h1-8,16H,9-10H2 |
| InChIKey | MTMWMMAPBPOJNN-UHFFFAOYSA-N |
| XLogP | 3.15 |
| TPSA | 29.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 232.25 |
| LogP ≤ 5 | 3.15 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-[2-(2-fluorophenoxy)ethyl]phenol?
The IUPAC name of 4-[2-(2-fluorophenoxy)ethyl]phenol (CID 154643282) is 4-[2-(2-fluorophenoxy)ethyl]phenol.
What is the SMILES notation for 4-[2-(2-fluorophenoxy)ethyl]phenol?
The canonical SMILES for 4-[2-(2-fluorophenoxy)ethyl]phenol is Oc1ccc(CCOc2ccccc2F)cc1.
What is the InChIKey of 4-[2-(2-fluorophenoxy)ethyl]phenol?
The InChIKey is MTMWMMAPBPOJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c15-13-3-1-2-4-14(13)17-10-9-11-5-7-12(16)8-6-11/h1-8,16H,9-10H2.
What are the key properties of 4-[2-(2-fluorophenoxy)ethyl]phenol?
4-[2-(2-fluorophenoxy)ethyl]phenol has a molecular weight of 232.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenoxy)ethyl]phenol is sourced from PubChem (CID 154643282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).