Basic information
- Standard SMILES
COc1cc(C(=O)O)c2ccn(C(C)C)c2c1- InChIKey
JSHIUEQHEAMOHZ-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
Names & identifiers
- Preferred name
- 1-isopropyl-6-methoxy-1H-indole-4-carboxylic acid
- IUPAC
- 6-methoxy-1-propan-2-ylindole-4-carboxylic acid
Names & synonyms
1-isopropyl-6-methoxy-1H-indole-4-carboxylic acidSCHEMBL2589296JSHIUEQHEAMOHZ-UHFFFAOYSA-N1346576-48-4DB-407767
Database identifiers
- PubChem CID
- 67465627
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Related reactions
17 records
Compound notes
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