6-(2-methylpropoxy)-1H-indole-2-carboxylic acid

C13H15NO3 — CID 3548668

IUPAC6-(2-methylpropoxy)-1H-indole-2-carboxylic acid
SMILESCC(C)COc1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C13H15NO3/c1-8(2)7-17-10-4-3-9-5-12(13(15)16)14-11(9)6-10/h3-6,8,14H,7H2,1-2H3,(H,15,16)
InChIKeyKWGXEHXBEBPMCI-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.90
Rot. Bonds4

About 6-(2-methylpropoxy)-1H-indole-2-carboxylic acid

6-(2-methylpropoxy)-1H-indole-2-carboxylic acid (PubChem CID 3548668) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylpropoxy)-1H-indole-2-carboxylic acid
PubChem CID3548668
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name6-(2-methylpropoxy)-1H-indole-2-carboxylic acid
SMILESCC(C)COc1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C13H15NO3/c1-8(2)7-17-10-4-3-9-5-12(13(15)16)14-11(9)6-10/h3-6,8,14H,7H2,1-2H3,(H,15,16)
InChIKeyKWGXEHXBEBPMCI-UHFFFAOYSA-N
XLogP2.90
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-1H-indole-2-carboxylic acid?
The IUPAC name of 6-(2-methylpropoxy)-1H-indole-2-carboxylic acid (CID 3548668) is 6-(2-methylpropoxy)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-(2-methylpropoxy)-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-(2-methylpropoxy)-1H-indole-2-carboxylic acid is CC(C)COc1ccc2cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 6-(2-methylpropoxy)-1H-indole-2-carboxylic acid?
The InChIKey is KWGXEHXBEBPMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(2)7-17-10-4-3-9-5-12(13(15)16)14-11(9)6-10/h3-6,8,14H,7H2,1-2H3,(H,15,16).
What are the key properties of 6-(2-methylpropoxy)-1H-indole-2-carboxylic acid?
6-(2-methylpropoxy)-1H-indole-2-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 3548668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).