About 2-[6-(2-phenylethyl)-2-pyridinyl]ethanol
2-[6-(2-phenylethyl)-2-pyridinyl]ethanol (PubChem CID 117001687) has the molecular formula C15H17NO
and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[6-(2-phenylethyl)-2-pyridinyl]ethanol.
Molecular Properties
| Compound Name | 2-[6-(2-phenylethyl)-2-pyridinyl]ethanol |
| PubChem CID | 117001687 |
| Molecular Formula | C15H17NO |
| Molecular Weight | 227.31 g/mol |
| Exact Mass | 227.13 |
| IUPAC Name | 2-[6-(2-phenylethyl)-2-pyridinyl]ethanol |
| SMILES | OCCc1cccc(CCc2ccccc2)n1 |
| InChI | InChI=1S/C15H17NO/c17-12-11-15-8-4-7-14(16-15)10-9-13-5-2-1-3-6-13/h1-8,17H,9-12H2 |
| InChIKey | YYTYCHBNHJECBS-UHFFFAOYSA-N |
| XLogP | 2.40 |
| TPSA | 33.12 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 227.31 |
| 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 2-[6-(2-phenylethyl)-2-pyridinyl]ethanol?
The IUPAC name of 2-[6-(2-phenylethyl)-2-pyridinyl]ethanol (CID 117001687) is 2-[6-(2-phenylethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-(2-phenylethyl)-2-pyridinyl]ethanol?
The canonical SMILES for 2-[6-(2-phenylethyl)-2-pyridinyl]ethanol is OCCc1cccc(CCc2ccccc2)n1.
What is the InChIKey of 2-[6-(2-phenylethyl)-2-pyridinyl]ethanol?
The InChIKey is YYTYCHBNHJECBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-12-11-15-8-4-7-14(16-15)10-9-13-5-2-1-3-6-13/h1-8,17H,9-12H2.
What are the key properties of 2-[6-(2-phenylethyl)-2-pyridinyl]ethanol?
2-[6-(2-phenylethyl)-2-pyridinyl]ethanol has a molecular weight of 227.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-phenylethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 117001687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).