About 4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine
4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine (PubChem CID 10268858) has the molecular formula C20H19NO2
and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine.
Molecular Properties
| Compound Name | 4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine |
| PubChem CID | 10268858 |
| Molecular Formula | C20H19NO2 |
| Molecular Weight | 305.38 g/mol |
| Exact Mass | 305.14 |
| IUPAC Name | 4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine |
| SMILES | COCCOc1c(/C=C/c2ccncc2)ccc2ccccc12 |
| InChI | InChI=1S/C20H19NO2/c1-22-14-15-23-20-18(7-6-16-10-12-21-13-11-16)9-8-17-4-2-3-5-19(17)20/h2-13H,14-15H2,1H3/b7-6+ |
| InChIKey | WWOHZJGWSUWDBZ-VOTSOKGWSA-N |
| XLogP | 4.43 |
| TPSA | 31.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 305.38 |
| LogP ≤ 5 | 4.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine (CID 10268858) is 4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine is COCCOc1c(/C=C/c2ccncc2)ccc2ccccc12.
What is the InChIKey of 4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine?
The InChIKey is WWOHZJGWSUWDBZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H19NO2/c1-22-14-15-23-20-18(7-6-16-10-12-21-13-11-16)9-8-17-4-2-3-5-19(17)20/h2-13H,14-15H2,1H3/b7-6+.
What are the key properties of 4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine?
4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine has a molecular weight of 305.38 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[1-(2-methoxyethoxy)naphthalen-2-yl]ethenyl]pyridine is sourced from PubChem (CID 10268858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).