3-methyl-2-phenyl-1H-[1,4]benzodioxino[2,3-f]indole
Basic information
- CAS
58679-42-8- Standard SMILES
Cc1c(-c2ccccc2)[nH]c2cc3c(cc12)Oc1ccccc1O3- InChIKey
CBNMZAWUDBURMJ-UHFFFAOYSA-N- Molecular formula
- C21H15NO2
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.11027872
Names & identifiers
- Preferred name
- 3-methyl-2-phenyl-1H-[1,4]benzodioxino[2,3-f]indole
- IUPAC
- 3-methyl-2-phenyl-1H-[1,4]benzodioxino[2,3-f]indole
Names & synonyms
58679-42-83-methyl-2-phenyl-1H-[1,4]benzodioxino[2,3-f]indoleNSC296339DTXSID20315709NSC-296339
Database identifiers
- CAS
58679-42-8- PubChem CID
- 326157
- DTXSID
DTXSID20315709
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 34.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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