About 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine
4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine (PubChem CID 176924118) has the molecular formula C16H17NO2
and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine.
Molecular Properties
| Compound Name | 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine |
| PubChem CID | 176924118 |
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.32 g/mol |
| Exact Mass | 255.13 |
| IUPAC Name | 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine |
| SMILES | C/C=C/c1cc(OCc2ccc(OC)cc2)ccn1 |
| InChI | InChI=1S/C16H17NO2/c1-3-4-14-11-16(9-10-17-14)19-12-13-5-7-15(18-2)8-6-13/h3-11H,12H2,1-2H3/b4-3+ |
| InChIKey | FKBKXFZDCNDTPN-ONEGZZNKSA-N |
| XLogP | 3.70 |
| TPSA | 31.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 255.32 |
| LogP ≤ 5 | 3.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine?
The IUPAC name of 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine (CID 176924118) is 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine is C/C=C/c1cc(OCc2ccc(OC)cc2)ccn1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine?
The InChIKey is FKBKXFZDCNDTPN-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-4-14-11-16(9-10-17-14)19-12-13-5-7-15(18-2)8-6-13/h3-11H,12H2,1-2H3/b4-3+.
What are the key properties of 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine?
4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine has a molecular weight of 255.32 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine is sourced from PubChem (CID 176924118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).