Basic information
- CAS
63196-28-1- Standard SMILES
Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1- InChIKey
GHUSMOQGQYNOPE-UHFFFAOYSA-N- Molecular formula
- C21H15NO3
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.10519334
Names & identifiers
- Preferred name
- 5-(4-Methylphenoxy)-2-phenyl-1H-isoindole-1,3(2H)-dione
- IUPAC
- 5-(4-methylphenoxy)-2-phenylisoindole-1,3-dione
Names & synonyms
63196-28-1DTXSID304951625-(4-Methylphenoxy)-2-phenyl-1H-isoindole-1,3(2H)-dioneRefChem:300046DTXCID004459722-phenyl-5-(p-tolyloxy)isoindoline-1,3-dione5-(4-methylphenoxy)-2-phenyl-2,3-dihydro-1H-isoindole-1,3-dioneSCHEMBL13678848
Database identifiers
- CAS
63196-28-1- PubChem CID
- 12377047
- DTXSID
DTXSID30495162
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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