3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one

C21H24F3NO3Si — CID 169099340

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2(O)C(=O)Nc3c(C(F)(F)F)cccc32)cc1
InChIInChI=1S/C21H24F3NO3Si/c1-19(2,3)29(4,5)28-14-11-9-13(10-12-14)20(27)15-7-6-8-16(21(22,23)24)17(15)25-18(20)26/h6-12,27H,1-5H3,(H,25,26)
InChIKeyBJODSUKYYOCSBT-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.28
Rot. Bonds3

About 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one

3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one (PubChem CID 169099340) has the molecular formula C21H24F3NO3Si and a molecular weight of 423.51 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one
PubChem CID169099340
Molecular FormulaC21H24F3NO3Si
Molecular Weight423.51 g/mol
Exact Mass423.15
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2(O)C(=O)Nc3c(C(F)(F)F)cccc32)cc1
InChIInChI=1S/C21H24F3NO3Si/c1-19(2,3)29(4,5)28-14-11-9-13(10-12-14)20(27)15-7-6-8-16(21(22,23)24)17(15)25-18(20)26/h6-12,27H,1-5H3,(H,25,26)
InChIKeyBJODSUKYYOCSBT-UHFFFAOYSA-N
XLogP5.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one (CID 169099340) is 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one is CC(C)(C)[Si](C)(C)Oc1ccc(C2(O)C(=O)Nc3c(C(F)(F)F)cccc32)cc1.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is BJODSUKYYOCSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO3Si/c1-19(2,3)29(4,5)28-14-11-9-13(10-12-14)20(27)15-7-6-8-16(21(22,23)24)17(15)25-18(20)26/h6-12,27H,1-5H3,(H,25,26).
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one?
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 423.51 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 169099340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).