2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane

C21H23BrCl2FNO2Si — CID 67280301

IUPAC2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(Cl)c(F)cc1-c1cn(COCC[Si](C)(C)C)c2ccc(Br)c(Cl)c12
InChIInChI=1S/C21H23BrCl2FNO2Si/c1-27-19-10-16(23)17(25)9-13(19)14-11-26(12-28-7-8-29(2,3)4)18-6-5-15(22)21(24)20(14)18/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyAUBDLRVDUVWNDR-UHFFFAOYSA-N
MW519.31 g/mol
LogP7.84
Rot. Bonds7

About 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67280301) has the molecular formula C21H23BrCl2FNO2Si and a molecular weight of 519.31 g/mol. Its IUPAC name is 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID67280301
Molecular FormulaC21H23BrCl2FNO2Si
Molecular Weight519.31 g/mol
Exact Mass517.00
IUPAC Name2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(Cl)c(F)cc1-c1cn(COCC[Si](C)(C)C)c2ccc(Br)c(Cl)c12
InChIInChI=1S/C21H23BrCl2FNO2Si/c1-27-19-10-16(23)17(25)9-13(19)14-11-26(12-28-7-8-29(2,3)4)18-6-5-15(22)21(24)20(14)18/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyAUBDLRVDUVWNDR-UHFFFAOYSA-N
XLogP7.84
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.31
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane (CID 67280301) is 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane is COc1cc(Cl)c(F)cc1-c1cn(COCC[Si](C)(C)C)c2ccc(Br)c(Cl)c12.
What is the InChIKey of 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is AUBDLRVDUVWNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrCl2FNO2Si/c1-27-19-10-16(23)17(25)9-13(19)14-11-26(12-28-7-8-29(2,3)4)18-6-5-15(22)21(24)20(14)18/h5-6,9-11H,7-8,12H2,1-4H3.
What are the key properties of 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 519.31 g/mol, XLogP of 7.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67280301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).