Basic information
- CAS
688038-40-6- Standard SMILES
CC(C)N1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCO3)c2ccccc21- InChIKey
YFJCUBSAFFXYBK-UHFFFAOYSA-N- Molecular formula
- C20H19NO5
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.12632271
Names & identifiers
- Preferred name
- 3-[2-(1,3-Benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
- IUPAC
- 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
- English name
- 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-isopropyl-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C20H19NO5
- Molecular weight
- 353.37
Names & synonyms
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(propan-2-yl)-1,3-dihydro-2H-indol-2-one688038-40-6STK214543AKOS001687504AKOS022060517CCG-118081ST50874812AK-778/43114877SR-01000104332SR-01000104332-13-(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-oxoethyl)-3-hydroxy-1-(methylethyl)i ndolin-2-one
Show more names
2H-Indol-2-one, 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1,3-dihydro-3-hydroxy-1-(1-methylethyl)-
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-isopropyl-1,3-dihydro-2H-indol-2-one
Database identifiers
- CAS
688038-40-6- PubChem CID
- 4433973
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 579
Physicochemical properties
- Boiling point
- 630.4 · 630.4±55.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- pka
- 11.06 · 11.06±0.20(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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