3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid

C20H24N2O3Si — CID 166022038

IUPAC3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid
SMILESC[Si](C)(C)CCOCn1ncc2cccc(-c3cccc(C(=O)O)c3)c21
InChIInChI=1S/C20H24N2O3Si/c1-26(2,3)11-10-25-14-22-19-17(13-21-22)8-5-9-18(19)15-6-4-7-16(12-15)20(23)24/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,24)
InChIKeyBFCDSDHMVDLBGN-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.71
Rot. Bonds7

About 3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid

3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid (PubChem CID 166022038) has the molecular formula C20H24N2O3Si and a molecular weight of 368.51 g/mol. Its IUPAC name is 3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid
PubChem CID166022038
Molecular FormulaC20H24N2O3Si
Molecular Weight368.51 g/mol
Exact Mass368.16
IUPAC Name3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid
SMILESC[Si](C)(C)CCOCn1ncc2cccc(-c3cccc(C(=O)O)c3)c21
InChIInChI=1S/C20H24N2O3Si/c1-26(2,3)11-10-25-14-22-19-17(13-21-22)8-5-9-18(19)15-6-4-7-16(12-15)20(23)24/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,24)
InChIKeyBFCDSDHMVDLBGN-UHFFFAOYSA-N
XLogP4.71
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid?
The IUPAC name of 3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid (CID 166022038) is 3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid.
What is the SMILES notation for 3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid?
The canonical SMILES for 3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid is C[Si](C)(C)CCOCn1ncc2cccc(-c3cccc(C(=O)O)c3)c21.
What is the InChIKey of 3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid?
The InChIKey is BFCDSDHMVDLBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3Si/c1-26(2,3)11-10-25-14-22-19-17(13-21-22)8-5-9-18(19)15-6-4-7-16(12-15)20(23)24/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,24).
What are the key properties of 3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid?
3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid has a molecular weight of 368.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid is sourced from PubChem (CID 166022038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).