Basic information
- CAS
62367-68-4- Standard SMILES
CC(=O)CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12- InChIKey
WSVUDCGHZTZRRU-UHFFFAOYSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Names & identifiers
- Preferred name
- 1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)-
- IUPAC
- 1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione
Names & synonyms
1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)-BRN 147824262367-68-41H-Indole, 3-(1,3-dioxobutyl)-2-phenyl-1-(2-Phenyl-1H-indol-3-yl)-1,3-butanedioneDTXSID902114065-21-11-00450 (Beilstein Handbook Reference)NSC 294988RefChem:218166DTXCID501338971-(2-phenyl-1h-indol-3-yl)butane-1,3-dioneNSC294988
Show more names
NSC-294988
Database identifiers
- CAS
62367-68-4- PubChem CID
- 100403
- DTXSID
DTXSID90211406
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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