About 4-(1-trimethoxysilylethyl)phenol
4-(1-trimethoxysilylethyl)phenol (PubChem CID 23121771) has the molecular formula C11H18O4Si
and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-(1-trimethoxysilylethyl)phenol.
Molecular Properties
| Compound Name | 4-(1-trimethoxysilylethyl)phenol |
| PubChem CID | 23121771 |
| Molecular Formula | C11H18O4Si |
| Molecular Weight | 242.35 g/mol |
| Exact Mass | 242.10 |
| IUPAC Name | 4-(1-trimethoxysilylethyl)phenol |
| SMILES | CO[Si](OC)(OC)C(C)c1ccc(O)cc1 |
| InChI | InChI=1S/C11H18O4Si/c1-9(16(13-2,14-3)15-4)10-5-7-11(12)8-6-10/h5-9,12H,1-4H3 |
| InChIKey | UYFSNTFLFWUGGL-UHFFFAOYSA-N |
| XLogP | 1.91 |
| TPSA | 47.92 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 242.35 |
| LogP ≤ 5 | 1.91 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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 4-(1-trimethoxysilylethyl)phenol?
The IUPAC name of 4-(1-trimethoxysilylethyl)phenol (CID 23121771) is 4-(1-trimethoxysilylethyl)phenol.
What is the SMILES notation for 4-(1-trimethoxysilylethyl)phenol?
The canonical SMILES for 4-(1-trimethoxysilylethyl)phenol is CO[Si](OC)(OC)C(C)c1ccc(O)cc1.
What is the InChIKey of 4-(1-trimethoxysilylethyl)phenol?
The InChIKey is UYFSNTFLFWUGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4Si/c1-9(16(13-2,14-3)15-4)10-5-7-11(12)8-6-10/h5-9,12H,1-4H3.
What are the key properties of 4-(1-trimethoxysilylethyl)phenol?
4-(1-trimethoxysilylethyl)phenol has a molecular weight of 242.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-trimethoxysilylethyl)phenol is sourced from PubChem (CID 23121771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).