Basic information
- CAS
590348-92-8- Standard SMILES
COc1ccc(-c2[nH]c3ccc(C)cc3c2C=O)cc1- InChIKey
RXIGTUZWKFVEOL-UHFFFAOYSA-N- Molecular formula
- C17H15NO2
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.11027872
Names & identifiers
- Preferred name
- 2-(4-methoxyphenyl)-5-methyl-1H-indole-3-carbaldehyde
- IUPAC
- 2-(4-methoxyphenyl)-5-methyl-1H-indole-3-carbaldehyde
Names & synonyms
2-(4-methoxyphenyl)-5-methyl-1H-indole-3-carbaldehyde590348-92-8CHEMBL228782SCHEMBL5161888DTXSID70396028
Database identifiers
- CAS
590348-92-8- PubChem CID
- 3759151
- DTXSID
DTXSID70396028- ChEMBL
CHEMBL228782
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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