3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol

C17H26FNO2Si — CID 58303860

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol
SMILESCn1cc(CCO[Si](C)(C)C(C)(C)C)c2c(O)c(F)ccc21
InChIInChI=1S/C17H26FNO2Si/c1-17(2,3)22(5,6)21-10-9-12-11-19(4)14-8-7-13(18)16(20)15(12)14/h7-8,11,20H,9-10H2,1-6H3
InChIKeyKKHPPVBBKLDGIR-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.59
Rot. Bonds4

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol (PubChem CID 58303860) has the molecular formula C17H26FNO2Si and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol
PubChem CID58303860
Molecular FormulaC17H26FNO2Si
Molecular Weight323.48 g/mol
Exact Mass323.17
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol
SMILESCn1cc(CCO[Si](C)(C)C(C)(C)C)c2c(O)c(F)ccc21
InChIInChI=1S/C17H26FNO2Si/c1-17(2,3)22(5,6)21-10-9-12-11-19(4)14-8-7-13(18)16(20)15(12)14/h7-8,11,20H,9-10H2,1-6H3
InChIKeyKKHPPVBBKLDGIR-UHFFFAOYSA-N
XLogP4.59
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
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 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol (CID 58303860) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol is Cn1cc(CCO[Si](C)(C)C(C)(C)C)c2c(O)c(F)ccc21.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol?
The InChIKey is KKHPPVBBKLDGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2Si/c1-17(2,3)22(5,6)21-10-9-12-11-19(4)14-8-7-13(18)16(20)15(12)14/h7-8,11,20H,9-10H2,1-6H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol has a molecular weight of 323.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1-methylindol-4-ol is sourced from PubChem (CID 58303860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).