4,7-Dimethyl-2-phenyl-1h-indole
Basic information
- CAS
2538-59-2- Standard SMILES
Cc1ccc(C)c2[nH]c(-c3ccccc3)cc12- InChIKey
JJWWQVJBQRMECC-UHFFFAOYSA-N- Molecular formula
- C16H15N
- Average molar mass
- 221.3 g/mol
- Monoisotopic mass
- 221.12044948
Names & identifiers
- Preferred name
- 4,7-Dimethyl-2-phenyl-1h-indole
- IUPAC
- 4,7-dimethyl-2-phenyl-1H-indole
Names & synonyms
2538-59-24,7-dimethyl-2-phenyl-1h-indoleNSC97801H-Indole,4,7-dimethyl-2-phenyl-SCHEMBL10935462DTXSID80278745NSC-9780AKOS014673304DS-002926
Database identifiers
- CAS
2538-59-2- PubChem CID
- 222844
- DTXSID
DTXSID80278745
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
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Compound notes
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