About (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol
(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol (PubChem CID 115373656) has the molecular formula C15H17NO
and a molecular weight of 227.31 g/mol. Its IUPAC name is (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol.
Molecular Properties
| Compound Name | (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol |
| PubChem CID | 115373656 |
| Molecular Formula | C15H17NO |
| Molecular Weight | 227.31 g/mol |
| Exact Mass | 227.13 |
| IUPAC Name | (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol |
| SMILES | CCc1ccc(C(O)c2cncc(C)c2)cc1 |
| InChI | InChI=1S/C15H17NO/c1-3-12-4-6-13(7-5-12)15(17)14-8-11(2)9-16-10-14/h4-10,15,17H,3H2,1-2H3 |
| InChIKey | NXWZPZZRFRZCRJ-UHFFFAOYSA-N |
| XLogP | 3.03 |
| TPSA | 33.12 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 227.31 |
| LogP ≤ 5 | 3.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol (CID 115373656) is (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol is CCc1ccc(C(O)c2cncc(C)c2)cc1.
What is the InChIKey of (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol?
The InChIKey is NXWZPZZRFRZCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-12-4-6-13(7-5-12)15(17)14-8-11(2)9-16-10-14/h4-10,15,17H,3H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol?
(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol has a molecular weight of 227.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 115373656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).