About 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene (PubChem CID 5092945) has the molecular formula C20H18O2
and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene.
Molecular Properties
| Compound Name | 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene |
| PubChem CID | 5092945 |
| Molecular Formula | C20H18O2 |
| Molecular Weight | 290.36 g/mol |
| Exact Mass | 290.13 |
| IUPAC Name | 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene |
| SMILES | COc1ccc(C=Cc2ccc(OC)c3ccccc23)cc1 |
| InChI | InChI=1S/C20H18O2/c1-21-17-12-8-15(9-13-17)7-10-16-11-14-20(22-2)19-6-4-3-5-18(16)19/h3-14H,1-2H3 |
| InChIKey | NHPVXKNNOQNIOG-UHFFFAOYSA-N |
| XLogP | 5.03 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 290.36 |
| LogP ≤ 5 | 5.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene?
The IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene (CID 5092945) is 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene.
What is the SMILES notation for 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene?
The canonical SMILES for 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene is COc1ccc(C=Cc2ccc(OC)c3ccccc23)cc1.
What is the InChIKey of 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene?
The InChIKey is NHPVXKNNOQNIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-21-17-12-8-15(9-13-17)7-10-16-11-14-20(22-2)19-6-4-3-5-18(16)19/h3-14H,1-2H3.
What are the key properties of 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene?
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene has a molecular weight of 290.36 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene is sourced from PubChem (CID 5092945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).