About 4-(2-pyridin-2-ylethoxy)phenol
4-(2-pyridin-2-ylethoxy)phenol (PubChem CID 60892821) has the molecular formula C13H13NO2
and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylethoxy)phenol.
Molecular Properties
| Compound Name | 4-(2-pyridin-2-ylethoxy)phenol |
| PubChem CID | 60892821 |
| Molecular Formula | C13H13NO2 |
| Molecular Weight | 215.25 g/mol |
| Exact Mass | 215.09 |
| IUPAC Name | 4-(2-pyridin-2-ylethoxy)phenol |
| SMILES | Oc1ccc(OCCc2ccccn2)cc1 |
| InChI | InChI=1S/C13H13NO2/c15-12-4-6-13(7-5-12)16-10-8-11-3-1-2-9-14-11/h1-7,9,15H,8,10H2 |
| InChIKey | SLPAUFOHRFRKLM-UHFFFAOYSA-N |
| XLogP | 2.41 |
| TPSA | 42.35 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 215.25 |
| LogP ≤ 5 | 2.41 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-(2-pyridin-2-ylethoxy)phenol?
The IUPAC name of 4-(2-pyridin-2-ylethoxy)phenol (CID 60892821) is 4-(2-pyridin-2-ylethoxy)phenol.
What is the SMILES notation for 4-(2-pyridin-2-ylethoxy)phenol?
The canonical SMILES for 4-(2-pyridin-2-ylethoxy)phenol is Oc1ccc(OCCc2ccccn2)cc1.
What is the InChIKey of 4-(2-pyridin-2-ylethoxy)phenol?
The InChIKey is SLPAUFOHRFRKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-4-6-13(7-5-12)16-10-8-11-3-1-2-9-14-11/h1-7,9,15H,8,10H2.
What are the key properties of 4-(2-pyridin-2-ylethoxy)phenol?
4-(2-pyridin-2-ylethoxy)phenol has a molecular weight of 215.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylethoxy)phenol is sourced from PubChem (CID 60892821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).