Basic information
- Standard SMILES
COc1ccc(-c2c[nH]c3ccccc23)cc1OC- InChIKey
JEBUUWJAEPKMST-UHFFFAOYSA-N- Molecular formula
- C16H15NO2
- Average molar mass
- 253.29 g/mol
Names & identifiers
- Preferred name
- 3-(3,4-Dimethoxyphenyl)-1H-indole
- IUPAC
- 3-(3,4-dimethoxyphenyl)-1H-indole
Names & synonyms
3-(3,4-Dimethoxyphenyl)-1H-indole1504-15-0MFCD17015360starbld0037191SCHEMBL4329785JEBUUWJAEPKMST-UHFFFAOYSA-N3-(3,4-dimethoxy-phenyl)-indoleAC8147SY251358
Database identifiers
- PubChem CID
- 44720681
- Nikkaji
- J2.708.935F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Related reactions
3 records
Compound notes
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