About 3-phenyl-2-pyridin-2-ylpropan-1-ol
3-phenyl-2-pyridin-2-ylpropan-1-ol (PubChem CID 68653958) has the molecular formula C14H15NO
and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-phenyl-2-pyridin-2-ylpropan-1-ol.
Molecular Properties
| Compound Name | 3-phenyl-2-pyridin-2-ylpropan-1-ol |
| PubChem CID | 68653958 |
| Molecular Formula | C14H15NO |
| Molecular Weight | 213.28 g/mol |
| Exact Mass | 213.12 |
| IUPAC Name | 3-phenyl-2-pyridin-2-ylpropan-1-ol |
| SMILES | OCC(Cc1ccccc1)c1ccccn1 |
| InChI | InChI=1S/C14H15NO/c16-11-13(14-8-4-5-9-15-14)10-12-6-2-1-3-7-12/h1-9,13,16H,10-11H2 |
| InChIKey | AYFSIYRYXOPBHZ-UHFFFAOYSA-N |
| XLogP | 2.40 |
| TPSA | 33.12 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 213.28 |
| LogP ≤ 5 | 2.40 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-phenyl-2-pyridin-2-ylpropan-1-ol?
The IUPAC name of 3-phenyl-2-pyridin-2-ylpropan-1-ol (CID 68653958) is 3-phenyl-2-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-phenyl-2-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-phenyl-2-pyridin-2-ylpropan-1-ol is OCC(Cc1ccccc1)c1ccccn1.
What is the InChIKey of 3-phenyl-2-pyridin-2-ylpropan-1-ol?
The InChIKey is AYFSIYRYXOPBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c16-11-13(14-8-4-5-9-15-14)10-12-6-2-1-3-7-12/h1-9,13,16H,10-11H2.
What are the key properties of 3-phenyl-2-pyridin-2-ylpropan-1-ol?
3-phenyl-2-pyridin-2-ylpropan-1-ol has a molecular weight of 213.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 68653958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).