(4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane

C24H27BrOSi — CID 22342689

IUPAC(4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane
SMILESCc1cc(Br)ccc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H27BrOSi/c1-19-17-21(25)16-15-20(19)18-26-27(24(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-17H,18H2,1-4H3
InChIKeyOHWRHIFSYWZOBJ-UHFFFAOYSA-N
MW439.47 g/mol
LogP5.83
Rot. Bonds5

About (4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane

(4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane (PubChem CID 22342689) has the molecular formula C24H27BrOSi and a molecular weight of 439.47 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane
PubChem CID22342689
Molecular FormulaC24H27BrOSi
Molecular Weight439.47 g/mol
Exact Mass438.10
IUPAC Name(4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane
SMILESCc1cc(Br)ccc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H27BrOSi/c1-19-17-21(25)16-15-20(19)18-26-27(24(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-17H,18H2,1-4H3
InChIKeyOHWRHIFSYWZOBJ-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 55.83
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 (4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane?
The IUPAC name of (4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane (CID 22342689) is (4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for (4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for (4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane is Cc1cc(Br)ccc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane?
The InChIKey is OHWRHIFSYWZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrOSi/c1-19-17-21(25)16-15-20(19)18-26-27(24(2,3)4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-17H,18H2,1-4H3.
What are the key properties of (4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane?
(4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane has a molecular weight of 439.47 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 22342689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).