3-methyl-1-(1-methylethyl)-6-(methyloxy)-1H-indole-4-carboxylic acid

HCID 67465331

Basic information

Standard SMILES
COc1cc(C(=O)O)c2c(C)cn(C(C)C)c2c1
InChIKey
GQEDPNBHSXYODF-UHFFFAOYSA-N
Molecular formula
C14H17NO3
Average molar mass
247.29 g/mol

Names & identifiers

Preferred name
3-methyl-1-(1-methylethyl)-6-(methyloxy)-1H-indole-4-carboxylic acid
IUPAC
6-methoxy-3-methyl-1-propan-2-ylindole-4-carboxylic acid

Names & synonyms

SCHEMBL2588711GQEDPNBHSXYODF-UHFFFAOYSA-N1346576-50-8DB-4077681-isopropyl-6-methoxy-3-methyl-1H-indole-4-carboxylic acid3-methyl-1-(1-methylethyl)-6-(methyloxy)-1H-indole-4-carboxylic acid

Database identifiers

PubChem CID
67465331

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
51.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

Related reactions

6 records

Compound notes

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