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
- Formal charge
- 0
- Complexity
- 318
Related reactions
6 records
Compound notes
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