6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol

C14H19Cl2NO2Si — CID 170550452

IUPAC6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol
SMILESC[Si](C)(C)CCOCn1ccc2c(O)cc(Cl)c(Cl)c21
InChIInChI=1S/C14H19Cl2NO2Si/c1-20(2,3)7-6-19-9-17-5-4-10-12(18)8-11(15)13(16)14(10)17/h4-5,8,18H,6-7,9H2,1-3H3
InChIKeyNEJIAJIUEPPACP-UHFFFAOYSA-N
MW332.30 g/mol
LogP4.97
Rot. Bonds5

About 6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol

6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol (PubChem CID 170550452) has the molecular formula C14H19Cl2NO2Si and a molecular weight of 332.30 g/mol. Its IUPAC name is 6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol.

Molecular Properties

Compound Name6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol
PubChem CID170550452
Molecular FormulaC14H19Cl2NO2Si
Molecular Weight332.30 g/mol
Exact Mass331.06
IUPAC Name6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol
SMILESC[Si](C)(C)CCOCn1ccc2c(O)cc(Cl)c(Cl)c21
InChIInChI=1S/C14H19Cl2NO2Si/c1-20(2,3)7-6-19-9-17-5-4-10-12(18)8-11(15)13(16)14(10)17/h4-5,8,18H,6-7,9H2,1-3H3
InChIKeyNEJIAJIUEPPACP-UHFFFAOYSA-N
XLogP4.97
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 54.97
H-Bond Donors ≤ 51
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 6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol?
The IUPAC name of 6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol (CID 170550452) is 6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol.
What is the SMILES notation for 6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol?
The canonical SMILES for 6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol is C[Si](C)(C)CCOCn1ccc2c(O)cc(Cl)c(Cl)c21.
What is the InChIKey of 6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol?
The InChIKey is NEJIAJIUEPPACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2Si/c1-20(2,3)7-6-19-9-17-5-4-10-12(18)8-11(15)13(16)14(10)17/h4-5,8,18H,6-7,9H2,1-3H3.
What are the key properties of 6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol?
6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol has a molecular weight of 332.30 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-(2-trimethylsilylethoxymethyl)indol-4-ol is sourced from PubChem (CID 170550452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).