3-Hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-6-phenylhexa-3,5-dienyl)indol-2-one
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Basic information
- CAS
369393-85-1- Standard SMILES
Cc1ccccc1CN1C(=O)C(O)(CC(=O)C=CC=Cc2ccccc2)c2ccccc21- InChIKey
RVUMQYBQKFCNQI-UHFFFAOYSA-N- Molecular formula
- C28H25NO3
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.18344366
Names & identifiers
- Preferred name
- 3-Hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-6-phenylhexa-3,5-dienyl)indol-2-one
- IUPAC
- 3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-6-phenylhexa-3,5-dienyl)indol-2-one
- English name
- 3-hydroxy-1-(2-methylbenzyl)-3-(2-oxo-6-phenyl-3,5-hexadienyl)-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C28H25NO3
- Molecular weight
- 423.5
Names & synonyms
3-hydroxy-1-(2-methylbenzyl)-3-(2-oxo-6-phenyl-3,5-hexadienyl)-1,3-dihydro-2H-indol-2-one2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-6-phenyl-3,5-hexadien-1-yl)-
Database identifiers
- CAS
369393-85-1- PubChem CID
- 3658636
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 722
Physicochemical properties
- Boiling point
- 718 · 718.0±60.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- 10.99 · 10.99±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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