(2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane

C22H22BrClOSi — CID 101484242

IUPAC(2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1ccc(Cl)cc1Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22BrClOSi/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-21-15-14-17(24)16-20(21)23/h4-16H,1-3H3
InChIKeyXJRZMRCAXFHBQN-UHFFFAOYSA-N
MW445.86 g/mol
LogP6.04
Rot. Bonds4

About (2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane

(2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane (PubChem CID 101484242) has the molecular formula C22H22BrClOSi and a molecular weight of 445.86 g/mol. Its IUPAC name is (2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane
PubChem CID101484242
Molecular FormulaC22H22BrClOSi
Molecular Weight445.86 g/mol
Exact Mass444.03
IUPAC Name(2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1ccc(Cl)cc1Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22BrClOSi/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-21-15-14-17(24)16-20(21)23/h4-16H,1-3H3
InChIKeyXJRZMRCAXFHBQN-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.86
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane?
The IUPAC name of (2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane (CID 101484242) is (2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane.
What is the SMILES notation for (2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane?
The canonical SMILES for (2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane is CC(C)(C)[Si](Oc1ccc(Cl)cc1Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane?
The InChIKey is XJRZMRCAXFHBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrClOSi/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-21-15-14-17(24)16-20(21)23/h4-16H,1-3H3.
What are the key properties of (2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane?
(2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane has a molecular weight of 445.86 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenoxy)-tert-butyl-diphenylsilane is sourced from PubChem (CID 101484242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).