About benzyl-(4-chlorophenyl)-methoxy-phenylsilane
benzyl-(4-chlorophenyl)-methoxy-phenylsilane (PubChem CID 10882324) has the molecular formula C20H19ClOSi
and a molecular weight of 338.91 g/mol. Its IUPAC name is benzyl-(4-chlorophenyl)-methoxy-phenylsilane.
Molecular Properties
| Compound Name | benzyl-(4-chlorophenyl)-methoxy-phenylsilane |
| PubChem CID | 10882324 |
| Molecular Formula | C20H19ClOSi |
| Molecular Weight | 338.91 g/mol |
| Exact Mass | 338.09 |
| IUPAC Name | benzyl-(4-chlorophenyl)-methoxy-phenylsilane |
| SMILES | CO[Si](Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1 |
| InChI | InChI=1S/C20H19ClOSi/c1-22-23(19-10-6-3-7-11-19,16-17-8-4-2-5-9-17)20-14-12-18(21)13-15-20/h2-15H,16H2,1H3 |
| InChIKey | VEJRSYPMLQFIKZ-UHFFFAOYSA-N |
| XLogP | 3.83 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 338.91 |
| LogP ≤ 5 | 3.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of benzyl-(4-chlorophenyl)-methoxy-phenylsilane?
The IUPAC name of benzyl-(4-chlorophenyl)-methoxy-phenylsilane (CID 10882324) is benzyl-(4-chlorophenyl)-methoxy-phenylsilane.
What is the SMILES notation for benzyl-(4-chlorophenyl)-methoxy-phenylsilane?
The canonical SMILES for benzyl-(4-chlorophenyl)-methoxy-phenylsilane is CO[Si](Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of benzyl-(4-chlorophenyl)-methoxy-phenylsilane?
The InChIKey is VEJRSYPMLQFIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClOSi/c1-22-23(19-10-6-3-7-11-19,16-17-8-4-2-5-9-17)20-14-12-18(21)13-15-20/h2-15H,16H2,1H3.
What are the key properties of benzyl-(4-chlorophenyl)-methoxy-phenylsilane?
benzyl-(4-chlorophenyl)-methoxy-phenylsilane has a molecular weight of 338.91 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(4-chlorophenyl)-methoxy-phenylsilane is sourced from PubChem (CID 10882324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).