Basic information
- Standard SMILES
COc1ccc(C(=O)O)c2ccn(C(C)C)c12- InChIKey
RXJLSLZPTNBJSY-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- 1-(1-Methylethyl)-7-(methyloxy)-1H-indole-4-carboxylic acid
- IUPAC
- 7-methoxy-1-propan-2-ylindole-4-carboxylic acid
Names & synonyms
SCHEMBL2594989RXJLSLZPTNBJSY-UHFFFAOYSA-N1346575-85-6DB-4077691-isopropyl-7-methoxy-1H-indole-4-carboxylic acid1-(1-Methylethyl)-7-(methyloxy)-1H-indole-4-carboxylic acid
Database identifiers
- PubChem CID
- 67468682
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
14 records
Compound notes
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