Basic information
- Standard SMILES
COc1ccc(CN2C(=O)c3cccc(O)c3C2=O)c(OC)c1- InChIKey
PFRAJTZNRHTCTL-UHFFFAOYSA-N- Molecular formula
- C17H15NO5
- Average molar mass
- 313.3 g/mol
Names & identifiers
- Preferred name
- 2-(2,4-Dimethoxy-benzyl)-4-hydroxy-isoindole-1,3-dione
- IUPAC
- 2-[(2,4-dimethoxyphenyl)methyl]-4-hydroxyisoindole-1,3-dione
Names & synonyms
912999-90-7SCHEMBL382858PFRAJTZNRHTCTL-UHFFFAOYSA-NDA-287152-(2,4-dimethoxy-benzyl)-4-hydroxy-isoindole-1,3-dione4-Hydroxy-2-(2,4-dimethoxy-benzyl)-isoindole-1 3-dione4-Hydroxy-2-(2,4-dimethoxy-benzyl)-isoindole-1,3-dione
Database identifiers
- PubChem CID
- 59263128
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
Related reactions
31 records
Compound notes
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