tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane

C23H25FOSi — CID 91550303

IUPACtert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane
SMILESCc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(F)c1
InChIInChI=1S/C23H25FOSi/c1-18-15-16-22(21(24)17-18)25-26(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17H,1-4H3
InChIKeyPWKTUMBIPPFDMQ-UHFFFAOYSA-N
MW364.54 g/mol
LogP5.07
Rot. Bonds4

About tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane

tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane (PubChem CID 91550303) has the molecular formula C23H25FOSi and a molecular weight of 364.54 g/mol. Its IUPAC name is tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane
PubChem CID91550303
Molecular FormulaC23H25FOSi
Molecular Weight364.54 g/mol
Exact Mass364.17
IUPAC Nametert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane
SMILESCc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(F)c1
InChIInChI=1S/C23H25FOSi/c1-18-15-16-22(21(24)17-18)25-26(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17H,1-4H3
InChIKeyPWKTUMBIPPFDMQ-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.54
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane 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 tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane (CID 91550303) is tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane is Cc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(F)c1.
What is the InChIKey of tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane?
The InChIKey is PWKTUMBIPPFDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FOSi/c1-18-15-16-22(21(24)17-18)25-26(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17H,1-4H3.
What are the key properties of tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane?
tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane has a molecular weight of 364.54 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-fluoro-4-methylphenoxy)-diphenylsilane is sourced from PubChem (CID 91550303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).