tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane

C21H26O3Si — CID 68967722

IUPACtert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane
SMILESCOc1ccc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3o2)cc1
InChIInChI=1S/C21H26O3Si/c1-21(2,3)25(5,6)24-18-11-12-19-16(13-18)14-20(23-19)15-7-9-17(22-4)10-8-15/h7-14H,1-6H3
InChIKeyFYCYUVSRXCQMLQ-UHFFFAOYSA-N
MW354.52 g/mol
LogP6.49
Rot. Bonds4

About tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane

tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane (PubChem CID 68967722) has the molecular formula C21H26O3Si and a molecular weight of 354.52 g/mol. Its IUPAC name is tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane
PubChem CID68967722
Molecular FormulaC21H26O3Si
Molecular Weight354.52 g/mol
Exact Mass354.17
IUPAC Nametert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane
SMILESCOc1ccc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3o2)cc1
InChIInChI=1S/C21H26O3Si/c1-21(2,3)25(5,6)24-18-11-12-19-16(13-18)14-20(23-19)15-7-9-17(22-4)10-8-15/h7-14H,1-6H3
InChIKeyFYCYUVSRXCQMLQ-UHFFFAOYSA-N
XLogP6.49
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane (CID 68967722) is tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane is COc1ccc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3o2)cc1.
What is the InChIKey of tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane?
The InChIKey is FYCYUVSRXCQMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3Si/c1-21(2,3)25(5,6)24-18-11-12-19-16(13-18)14-20(23-19)15-7-9-17(22-4)10-8-15/h7-14H,1-6H3.
What are the key properties of tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane?
tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane has a molecular weight of 354.52 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane is sourced from PubChem (CID 68967722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).