[4-(chloromethyl)phenyl]methoxysilane

C8H11ClOSi — CID 154263225

IUPAC[4-(chloromethyl)phenyl]methoxysilane
SMILES[SiH3]OCc1ccc(CCl)cc1
InChIInChI=1S/C8H11ClOSi/c9-5-7-1-3-8(4-2-7)6-10-11/h1-4H,5-6H2,11H3
InChIKeyXULOIBGXTSHMLY-UHFFFAOYSA-N
MW186.71 g/mol
LogP1.22
Rot. Bonds3

About [4-(chloromethyl)phenyl]methoxysilane

[4-(chloromethyl)phenyl]methoxysilane (PubChem CID 154263225) has the molecular formula C8H11ClOSi and a molecular weight of 186.71 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]methoxysilane.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]methoxysilane
PubChem CID154263225
Molecular FormulaC8H11ClOSi
Molecular Weight186.71 g/mol
Exact Mass186.03
IUPAC Name[4-(chloromethyl)phenyl]methoxysilane
SMILES[SiH3]OCc1ccc(CCl)cc1
InChIInChI=1S/C8H11ClOSi/c9-5-7-1-3-8(4-2-7)6-10-11/h1-4H,5-6H2,11H3
InChIKeyXULOIBGXTSHMLY-UHFFFAOYSA-N
XLogP1.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.71
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-(chloromethyl)phenyl]methoxysilane 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 [4-(chloromethyl)phenyl]methoxysilane?
The IUPAC name of [4-(chloromethyl)phenyl]methoxysilane (CID 154263225) is [4-(chloromethyl)phenyl]methoxysilane.
What is the SMILES notation for [4-(chloromethyl)phenyl]methoxysilane?
The canonical SMILES for [4-(chloromethyl)phenyl]methoxysilane is [SiH3]OCc1ccc(CCl)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]methoxysilane?
The InChIKey is XULOIBGXTSHMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClOSi/c9-5-7-1-3-8(4-2-7)6-10-11/h1-4H,5-6H2,11H3.
What are the key properties of [4-(chloromethyl)phenyl]methoxysilane?
[4-(chloromethyl)phenyl]methoxysilane has a molecular weight of 186.71 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]methoxysilane is sourced from PubChem (CID 154263225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).