bis(4-chlorophenoxy)methyl-phenylsilane

C19H16Cl2O2Si — CID 71441799

IUPACbis(4-chlorophenoxy)methyl-phenylsilane
SMILESClc1ccc(OC(Oc2ccc(Cl)cc2)[SiH2]c2ccccc2)cc1
InChIInChI=1S/C19H16Cl2O2Si/c20-14-6-10-16(11-7-14)22-19(24-18-4-2-1-3-5-18)23-17-12-8-15(21)9-13-17/h1-13,19H,24H2
InChIKeyJDMGWLBQJBPBBA-UHFFFAOYSA-N
MW375.33 g/mol
LogP4.23
Rot. Bonds6

About bis(4-chlorophenoxy)methyl-phenylsilane

bis(4-chlorophenoxy)methyl-phenylsilane (PubChem CID 71441799) has the molecular formula C19H16Cl2O2Si and a molecular weight of 375.33 g/mol. Its IUPAC name is bis(4-chlorophenoxy)methyl-phenylsilane.

Molecular Properties

Compound Namebis(4-chlorophenoxy)methyl-phenylsilane
PubChem CID71441799
Molecular FormulaC19H16Cl2O2Si
Molecular Weight375.33 g/mol
Exact Mass374.03
IUPAC Namebis(4-chlorophenoxy)methyl-phenylsilane
SMILESClc1ccc(OC(Oc2ccc(Cl)cc2)[SiH2]c2ccccc2)cc1
InChIInChI=1S/C19H16Cl2O2Si/c20-14-6-10-16(11-7-14)22-19(24-18-4-2-1-3-5-18)23-17-12-8-15(21)9-13-17/h1-13,19H,24H2
InChIKeyJDMGWLBQJBPBBA-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze bis(4-chlorophenoxy)methyl-phenylsilane 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 bis(4-chlorophenoxy)methyl-phenylsilane?
The IUPAC name of bis(4-chlorophenoxy)methyl-phenylsilane (CID 71441799) is bis(4-chlorophenoxy)methyl-phenylsilane.
What is the SMILES notation for bis(4-chlorophenoxy)methyl-phenylsilane?
The canonical SMILES for bis(4-chlorophenoxy)methyl-phenylsilane is Clc1ccc(OC(Oc2ccc(Cl)cc2)[SiH2]c2ccccc2)cc1.
What is the InChIKey of bis(4-chlorophenoxy)methyl-phenylsilane?
The InChIKey is JDMGWLBQJBPBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2O2Si/c20-14-6-10-16(11-7-14)22-19(24-18-4-2-1-3-5-18)23-17-12-8-15(21)9-13-17/h1-13,19H,24H2.
What are the key properties of bis(4-chlorophenoxy)methyl-phenylsilane?
bis(4-chlorophenoxy)methyl-phenylsilane has a molecular weight of 375.33 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenoxy)methyl-phenylsilane is sourced from PubChem (CID 71441799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).