Basic information
- Standard SMILES
Cc1c(C(=O)O)c2ccccc2n1C(C)c1ccccc1- InChIKey
CRQRBPMRPTWKSL-UHFFFAOYSA-N- Molecular formula
- C18H17NO2
- Average molar mass
- 279.3 g/mol
- Monoisotopic mass
- 279.12592879
Names & identifiers
- Preferred name
- 2-Methyl-1-(1-phenylethyl)-1H-indole-3-carboxylic acid
- IUPAC
- 2-methyl-1-(1-phenylethyl)indole-3-carboxylic acid
Names & synonyms
SCHEMBL151751312-Methyl-1-(1-phenylethyl)-1H-indole-3-carboxylic acidCRQRBPMRPTWKSL-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 89740423
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
5 records
Compound notes
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