7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid

C15H19NO4 — CID 122501542

IUPAC7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid
SMILESCC(C)(C)OCCOc1cc(C(=O)O)cc2cc[nH]c12
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-7-6-19-12-9-11(14(17)18)8-10-4-5-16-13(10)12/h4-5,8-9,16H,6-7H2,1-3H3,(H,17,18)
InChIKeyZNVNBAPGEUSGPF-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.06
Rot. Bonds5

About 7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid

7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid (PubChem CID 122501542) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid
PubChem CID122501542
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid
SMILESCC(C)(C)OCCOc1cc(C(=O)O)cc2cc[nH]c12
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-7-6-19-12-9-11(14(17)18)8-10-4-5-16-13(10)12/h4-5,8-9,16H,6-7H2,1-3H3,(H,17,18)
InChIKeyZNVNBAPGEUSGPF-UHFFFAOYSA-N
XLogP3.06
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid?
The IUPAC name of 7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid (CID 122501542) is 7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid.
What is the SMILES notation for 7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid?
The canonical SMILES for 7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid is CC(C)(C)OCCOc1cc(C(=O)O)cc2cc[nH]c12.
What is the InChIKey of 7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid?
The InChIKey is ZNVNBAPGEUSGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,3)20-7-6-19-12-9-11(14(17)18)8-10-4-5-16-13(10)12/h4-5,8-9,16H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid?
7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 122501542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).