Basic information
- Standard SMILES
COc1cc(C(C)C)ccc1C1(O)C(=O)c2cccc(N)c2C1=O- InChIKey
KOZWIDFTKUGUCF-UHFFFAOYSA-N- Molecular formula
- C19H19NO4
- Average molar mass
- 325.4 g/mol
Names & identifiers
- Preferred name
- 4-Amino-2-hydroxy-2-(4-isopropyl-2-methoxyphenyl)-2H-inden-1,3-dione
- IUPAC
- 4-amino-2-hydroxy-2-(2-methoxy-4-propan-2-ylphenyl)indene-1,3-dione
Names & synonyms
SCHEMBL15642294KOZWIDFTKUGUCF-UHFFFAOYSA-N4-Amino-2-hydroxy-2-(4-isopropyl-2-methoxyphenyl)-2H-inden-1,3-dione
Database identifiers
- PubChem CID
- 71476973
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Related reactions
1 records
Compound notes
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