4-trichlorosilylphenol

C6H5Cl3OSi — CID 19741787

IUPAC4-trichlorosilylphenol
SMILESOc1ccc([Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C6H5Cl3OSi/c7-11(8,9)6-3-1-5(10)2-4-6/h1-4,10H
InChIKeyXLNXFMXEYPPKIB-UHFFFAOYSA-N
MW227.55 g/mol
LogP2.25
Rot. Bonds1

About 4-trichlorosilylphenol

4-trichlorosilylphenol (PubChem CID 19741787) has the molecular formula C6H5Cl3OSi and a molecular weight of 227.55 g/mol. Its IUPAC name is 4-trichlorosilylphenol.

Molecular Properties

Compound Name4-trichlorosilylphenol
PubChem CID19741787
Molecular FormulaC6H5Cl3OSi
Molecular Weight227.55 g/mol
Exact Mass225.92
IUPAC Name4-trichlorosilylphenol
SMILESOc1ccc([Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C6H5Cl3OSi/c7-11(8,9)6-3-1-5(10)2-4-6/h1-4,10H
InChIKeyXLNXFMXEYPPKIB-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.55
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-trichlorosilylphenol?
The IUPAC name of 4-trichlorosilylphenol (CID 19741787) is 4-trichlorosilylphenol.
What is the SMILES notation for 4-trichlorosilylphenol?
The canonical SMILES for 4-trichlorosilylphenol is Oc1ccc([Si](Cl)(Cl)Cl)cc1.
What is the InChIKey of 4-trichlorosilylphenol?
The InChIKey is XLNXFMXEYPPKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3OSi/c7-11(8,9)6-3-1-5(10)2-4-6/h1-4,10H.
What are the key properties of 4-trichlorosilylphenol?
4-trichlorosilylphenol has a molecular weight of 227.55 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trichlorosilylphenol is sourced from PubChem (CID 19741787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).