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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Related Compounds

6-[1-(2-hydroxyethoxy)ethoxy]-1H-indole-2-carboxylic acid
CID 21477668
6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylic acid
CID 21477653
methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate
CID 25148905
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
6-tert-butyl-1H-indole-2-carboxylic acid
CID 5172468
(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248
1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168568
6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride
CID 17389553
3-(4-fluorophenoxy)-5-(2-methylpropoxy)benzoic acid
CID 66970051
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
6-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 33261446
6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid
CID 39232374

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).