1-(4-Phenylbutyl)-3-methylindole-5-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1cn(CCCCc2ccccc2)c2ccc(C(=O)O)cc12- InChIKey
MYNAEZGBERNSHO-UHFFFAOYSA-N- Molecular formula
- C20H21NO2
- Average molar mass
- 307.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-Phenylbutyl)-3-methylindole-5-carboxylic acid
- IUPAC
- 3-methyl-1-(4-phenylbutyl)indole-5-carboxylic acid
Names & synonyms
SCHEMBL7633781MYNAEZGBERNSHO-UHFFFAOYSA-N1-(4-phenylbutyl)-3-methylindole-5-carboxylic acid
Database identifiers
- PubChem CID
- 19606366
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Related reactions
1 records
Compound notes
Loading…