Basic information
- Standard SMILES
Cc1cccc(C)c1Cn1cc(C)c2ccc(C(=O)O)cc21- InChIKey
FBLDZCRGMITXAP-UHFFFAOYSA-N- Molecular formula
- C19H19NO2
- Average molar mass
- 293.4 g/mol
Names & identifiers
- Preferred name
- 1-(2,6-dimethylbenzyl)-3-methyl-1H-indole-6-carboxylic acid
- IUPAC
- 1-[(2,6-dimethylphenyl)methyl]-3-methylindole-6-carboxylic acid
Names & synonyms
CHEMBL3691987SCHEMBL11976856FBLDZCRGMITXAP-UHFFFAOYSA-NBDBM152010US8987473, 611-(2,6-dimethylbenzyl)-3-methyl-1H-indole-6-carboxylic acid
Database identifiers
- PubChem CID
- 60152006
- ChEMBL
CHEMBL3691987
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Related reactions
2 records
Compound notes
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