2-(5-Phenylpentyl)isoindoline-1,3-dione
Basic information
- CAS
53429-14-4- Standard SMILES
O=C1c2ccccc2C(=O)N1CCCCCc1ccccc1- InChIKey
BQBLHUOOKIYNOT-UHFFFAOYSA-N- Molecular formula
- C19H19NO2
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.14157885
Names & identifiers
- Preferred name
- 2-(5-Phenylpentyl)isoindoline-1,3-dione
- IUPAC
- 2-(5-phenylpentyl)isoindole-1,3-dione
- English name
- 2-(5-Phenylpentyl)-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C19H19NO2
- Molecular weight
- 293.36
Names & synonyms
2-(5-Phenylpentyl)isoindoline-1,3-dione2-(5-Phenylpentyl)-1H-isoindole-1,3(2H)-dione1H-Isoindole-1,3(2H)-dione, 2-(5-phenylpentyl)-SCHEMBL921970753429-14-4DB-3127182-(5-Phenylpentyl)-1H-isoindole-1,3(2H)-dione #2-(5-Phenylpentyl)-1,3-dihydro-1,3-dioxo-2H-isoindole
Database identifiers
- CAS
53429-14-4- PubChem CID
- 626193
- Nikkaji
- J129.821F
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Boiling point
- 451 · 451.0±24.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- -2.12 · -2.12±0.20(Predicted)
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Related reactions
4 records
Compound notes
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