About 1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene
1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene (PubChem CID 10329885) has the molecular formula C11H14O2
and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene.
Molecular Properties
| Compound Name | 1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene |
| PubChem CID | 10329885 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.23 g/mol |
| Exact Mass | 178.10 |
| IUPAC Name | 1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene |
| SMILES | C/C=C(\OC)c1ccc(OC)cc1 |
| InChI | InChI=1S/C11H14O2/c1-4-11(13-3)9-5-7-10(12-2)8-6-9/h4-8H,1-3H3/b11-4- |
| InChIKey | CKDNIWURKLZANO-WCIBSUBMSA-N |
| XLogP | 2.70 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 178.23 |
| LogP ≤ 5 | 2.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
|---|
Analyze 1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]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)-1-methoxyprop-1-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene (CID 10329885) is 1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene is C/C=C(\OC)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene?
The InChIKey is CKDNIWURKLZANO-WCIBSUBMSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-11(13-3)9-5-7-10(12-2)8-6-9/h4-8H,1-3H3/b11-4-.
What are the key properties of 1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene?
1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene has a molecular weight of 178.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene is sourced from PubChem (CID 10329885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).