About 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene
1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene (PubChem CID 13119213) has the molecular formula C19H22O2
and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene.
Molecular Properties
| Compound Name | 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene |
| PubChem CID | 13119213 |
| Molecular Formula | C19H22O2 |
| Molecular Weight | 282.38 g/mol |
| Exact Mass | 282.16 |
| IUPAC Name | 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene |
| SMILES | CC/C(=C(\C)c1ccc(OC)cc1)c1ccc(OC)cc1 |
| InChI | InChI=1S/C19H22O2/c1-5-19(16-8-12-18(21-4)13-9-16)14(2)15-6-10-17(20-3)11-7-15/h6-13H,5H2,1-4H3/b19-14- |
| InChIKey | GLMZVDLRKUSZRC-RGEXLXHISA-N |
| XLogP | 5.04 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 282.38 |
| LogP ≤ 5 | 5.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
|---|
Analyze 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene?
The IUPAC name of 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene (CID 13119213) is 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene?
The canonical SMILES for 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene is CC/C(=C(\C)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene?
The InChIKey is GLMZVDLRKUSZRC-RGEXLXHISA-N. The full InChI is InChI=1S/C19H22O2/c1-5-19(16-8-12-18(21-4)13-9-16)14(2)15-6-10-17(20-3)11-7-15/h6-13H,5H2,1-4H3/b19-14-.
What are the key properties of 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene?
1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene has a molecular weight of 282.38 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene is sourced from PubChem (CID 13119213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).