About bromozinc(1+);but-3-enoxybenzene
bromozinc(1+);but-3-enoxybenzene (PubChem CID 133144852) has the molecular formula C10H11BrOZn
and a molecular weight of 292.49 g/mol. Its IUPAC name is bromozinc(1+);but-3-enoxybenzene.
Molecular Properties
| Compound Name | bromozinc(1+);but-3-enoxybenzene |
|---|
| PubChem CID | 133144852 |
|---|
| Molecular Formula | C10H11BrOZn |
|---|
| Molecular Weight | 292.49 g/mol |
|---|
| Exact Mass | 289.93 |
|---|
| IUPAC Name | bromozinc(1+);but-3-enoxybenzene |
|---|
| SMILES | C=CCCOc1cc[c-]cc1.[Zn+]Br |
|---|
| InChI | InChI=1S/C10H11O.BrH.Zn/c1-2-3-9-11-10-7-5-4-6-8-10;;/h2,5-8H,1,3,9H2;1H;/q-1;;+2/p-1 |
|---|
| InChIKey | PZLLIMLDXCQEGJ-UHFFFAOYSA-M |
|---|
| XLogP | 3.28 |
|---|
| TPSA | 9.23 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 13 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 292.49 |
| LogP ≤ 5 | 3.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze bromozinc(1+);but-3-enoxybenzene 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 bromozinc(1+);but-3-enoxybenzene?
The IUPAC name of bromozinc(1+);but-3-enoxybenzene (CID 133144852) is bromozinc(1+);but-3-enoxybenzene.
What is the SMILES notation for bromozinc(1+);but-3-enoxybenzene?
The canonical SMILES for bromozinc(1+);but-3-enoxybenzene is C=CCCOc1cc[c-]cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);but-3-enoxybenzene?
The InChIKey is PZLLIMLDXCQEGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11O.BrH.Zn/c1-2-3-9-11-10-7-5-4-6-8-10;;/h2,5-8H,1,3,9H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);but-3-enoxybenzene?
bromozinc(1+);but-3-enoxybenzene has a molecular weight of 292.49 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);but-3-enoxybenzene is sourced from PubChem (CID 133144852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).