About [4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane
[4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane (PubChem CID 90171756) has the molecular formula C18H23FOSi
and a molecular weight of 302.47 g/mol. Its IUPAC name is [4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane.
Molecular Properties
| Compound Name | [4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane |
| PubChem CID | 90171756 |
| Molecular Formula | C18H23FOSi |
| Molecular Weight | 302.47 g/mol |
| Exact Mass | 302.15 |
| IUPAC Name | [4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane |
| SMILES | CC(C)[Si](O)(c1ccc(-c2ccc(F)cc2)cc1)C(C)C |
| InChI | InChI=1S/C18H23FOSi/c1-13(2)21(20,14(3)4)18-11-7-16(8-12-18)15-5-9-17(19)10-6-15/h5-14,20H,1-4H3 |
| InChIKey | RXRQKHSURAAFNX-UHFFFAOYSA-N |
| XLogP | 4.46 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 302.47 |
| LogP ≤ 5 | 4.46 |
| H-Bond Donors ≤ 5 | 1 |
| 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 [4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane?
The IUPAC name of [4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane (CID 90171756) is [4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane.
What is the SMILES notation for [4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane?
The canonical SMILES for [4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane is CC(C)[Si](O)(c1ccc(-c2ccc(F)cc2)cc1)C(C)C.
What is the InChIKey of [4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane?
The InChIKey is RXRQKHSURAAFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FOSi/c1-13(2)21(20,14(3)4)18-11-7-16(8-12-18)15-5-9-17(19)10-6-15/h5-14,20H,1-4H3.
What are the key properties of [4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane?
[4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane has a molecular weight of 302.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)phenyl]-hydroxy-di(propan-2-yl)silane is sourced from PubChem (CID 90171756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).