About 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol
2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol (PubChem CID 157481244) has the molecular formula C15H17NO
and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol.
Molecular Properties
| Compound Name | 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol |
| PubChem CID | 157481244 |
| Molecular Formula | C15H17NO |
| Molecular Weight | 227.31 g/mol |
| Exact Mass | 227.13 |
| IUPAC Name | 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol |
| SMILES | Cc1cccc(-c2cccc(C(C)C)c2O)n1 |
| InChI | InChI=1S/C15H17NO/c1-10(2)12-7-5-8-13(15(12)17)14-9-4-6-11(3)16-14/h4-10,17H,1-3H3 |
| InChIKey | UBHUUDSVDJZAMT-UHFFFAOYSA-N |
| XLogP | 3.89 |
| TPSA | 33.12 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 227.31 |
| LogP ≤ 5 | 3.89 |
| 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-methyl-2-pyridinyl)-6-propan-2-ylphenol?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol (CID 157481244) is 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol is Cc1cccc(-c2cccc(C(C)C)c2O)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol?
The InChIKey is UBHUUDSVDJZAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10(2)12-7-5-8-13(15(12)17)14-9-4-6-11(3)16-14/h4-10,17H,1-3H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol?
2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol has a molecular weight of 227.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol is sourced from PubChem (CID 157481244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).