Basic information
- Standard SMILES
COc1ccc(Cn2ccc3c(C#N)cccc32)cc1- InChIKey
DGJIUEZIKMKKLJ-UHFFFAOYSA-N- Molecular formula
- C17H14N2O
- Average molar mass
- 262.3 g/mol
Names & identifiers
- Preferred name
- 1-(4-methoxybenzyl)-1H-indole-4-carbonitrile
- IUPAC
- 1-[(4-methoxyphenyl)methyl]indole-4-carbonitrile
Names & synonyms
SCHEMBL3727123DGJIUEZIKMKKLJ-UHFFFAOYSA-N1-(4-methoxybenzyl)-1H-indole-4-carbonitrile
Database identifiers
- PubChem CID
- 68763239
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
3 records
Compound notes
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