2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane

C16H22BrNOSi — CID 141389098

IUPAC2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(Br)ccc1-c1ccccc1
InChIInChI=1S/C16H22BrNOSi/c1-20(2,3)12-11-19-13-18-15(9-10-16(18)17)14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3
InChIKeyRQUXXLPOPMGLHI-UHFFFAOYSA-N
MW352.35 g/mol
LogP5.23
Rot. Bonds6

About 2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane

2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 141389098) has the molecular formula C16H22BrNOSi and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID141389098
Molecular FormulaC16H22BrNOSi
Molecular Weight352.35 g/mol
Exact Mass351.07
IUPAC Name2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(Br)ccc1-c1ccccc1
InChIInChI=1S/C16H22BrNOSi/c1-20(2,3)12-11-19-13-18-15(9-10-16(18)17)14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3
InChIKeyRQUXXLPOPMGLHI-UHFFFAOYSA-N
XLogP5.23
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.35
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368
2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 58368344
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 170762564
4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018699
2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59137278
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine
CID 90041803
[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 174068018
5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 162469151
trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 168730347

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane (CID 141389098) is 2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(Br)ccc1-c1ccccc1.
What is the InChIKey of 2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is RQUXXLPOPMGLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNOSi/c1-20(2,3)12-11-19-13-18-15(9-10-16(18)17)14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3.
What are the key properties of 2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 352.35 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 141389098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).