About [4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol
[4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol (PubChem CID 50983637) has the molecular formula C14H13NO
and a molecular weight of 211.26 g/mol. Its IUPAC name is [4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol.
Molecular Properties
| Compound Name | [4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol |
| PubChem CID | 50983637 |
| Molecular Formula | C14H13NO |
| Molecular Weight | 211.26 g/mol |
| Exact Mass | 211.10 |
| IUPAC Name | [4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol |
| SMILES | OCc1cc(/C=C/c2ccccc2)ccn1 |
| InChI | InChI=1S/C14H13NO/c16-11-14-10-13(8-9-15-14)7-6-12-4-2-1-3-5-12/h1-10,16H,11H2/b7-6+ |
| InChIKey | QHRNPKHHORVSOL-VOTSOKGWSA-N |
| XLogP | 2.74 |
| TPSA | 33.12 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 211.26 |
| LogP ≤ 5 | 2.74 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of [4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol?
The IUPAC name of [4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol (CID 50983637) is [4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol?
The canonical SMILES for [4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol is OCc1cc(/C=C/c2ccccc2)ccn1.
What is the InChIKey of [4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol?
The InChIKey is QHRNPKHHORVSOL-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H13NO/c16-11-14-10-13(8-9-15-14)7-6-12-4-2-1-3-5-12/h1-10,16H,11H2/b7-6+.
What are the key properties of [4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol?
[4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol has a molecular weight of 211.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-phenylethenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 50983637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).