1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone

C29H32BrNO2Si — CID 71497017

IUPAC1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2c(-c3ccc(C)cc3Br)n(COCC[Si](C)(C)C)c3ccccc23)cc1
InChIInChI=1S/C29H32BrNO2Si/c1-20-10-15-24(26(30)18-20)29-28(23-13-11-22(12-14-23)21(2)32)25-8-6-7-9-27(25)31(29)19-33-16-17-34(3,4)5/h6-15,18H,16-17,19H2,1-5H3
InChIKeyIVRBUACBHYSAME-UHFFFAOYSA-N
MW534.57 g/mol
LogP8.56
Rot. Bonds8

About 1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone

1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone (PubChem CID 71497017) has the molecular formula C29H32BrNO2Si and a molecular weight of 534.57 g/mol. Its IUPAC name is 1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone
PubChem CID71497017
Molecular FormulaC29H32BrNO2Si
Molecular Weight534.57 g/mol
Exact Mass533.14
IUPAC Name1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2c(-c3ccc(C)cc3Br)n(COCC[Si](C)(C)C)c3ccccc23)cc1
InChIInChI=1S/C29H32BrNO2Si/c1-20-10-15-24(26(30)18-20)29-28(23-13-11-22(12-14-23)21(2)32)25-8-6-7-9-27(25)31(29)19-33-16-17-34(3,4)5/h6-15,18H,16-17,19H2,1-5H3
InChIKeyIVRBUACBHYSAME-UHFFFAOYSA-N
XLogP8.56
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.57
LogP ≤ 58.56
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'}

Analyze 1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride
CID 10983096
5-bromo-4-methoxy-1-(2-trimethylsilylethoxymethyl)indole-2-carboxylic acid
CID 90181086
ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate
CID 10809190
2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione
CID 6538848
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone
CID 20641223
hydroxy-dimethyl-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]silane
CID 24807131
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 170762564
2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 141389098
2-[(3-bromo-2,4,5-triphenylpyrrol-1-yl)methoxy]ethyl acetate
CID 512927
ethyl 5-bromo-4-(2,2-difluoroethoxy)-1-(2-trimethylsilylethoxymethyl)indole-2-carboxylate
CID 90181101

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone (CID 71497017) is 1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone is CC(=O)c1ccc(-c2c(-c3ccc(C)cc3Br)n(COCC[Si](C)(C)C)c3ccccc23)cc1.
What is the InChIKey of 1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone?
The InChIKey is IVRBUACBHYSAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32BrNO2Si/c1-20-10-15-24(26(30)18-20)29-28(23-13-11-22(12-14-23)21(2)32)25-8-6-7-9-27(25)31(29)19-33-16-17-34(3,4)5/h6-15,18H,16-17,19H2,1-5H3.
What are the key properties of 1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone?
1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone has a molecular weight of 534.57 g/mol, XLogP of 8.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone is sourced from PubChem (CID 71497017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).