Basic information
- Standard SMILES
COc1cc(C(C)C)ccc1C1(O)C(=O)c2cccc([N+](=O)[O-])c2C1=O- InChIKey
MCYOGATYRFNXON-UHFFFAOYSA-N- Molecular formula
- C19H17NO6
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.10558726
Names & identifiers
- Preferred name
- 2-Hydroxy-2-(4-isopropyl-2-methoxyphenyl)-4-nitro-2H-inden-1,3-dione
- IUPAC
- 2-hydroxy-2-(2-methoxy-4-propan-2-ylphenyl)-4-nitroindene-1,3-dione
Names & synonyms
SCHEMBL15642076MCYOGATYRFNXON-UHFFFAOYSA-N2-Hydroxy-2-(4-isopropyl-2-methoxyphenyl)-4-nitro-2H-inden-1,3-dione
Database identifiers
- PubChem CID
- 71476970
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 599
Related reactions
3 records
Compound notes
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