Basic information
- CAS
692261-25-9- Standard SMILES
COc1cccc(C=C2C(=O)N(c3cccc(C)c3)N=C2C)c1OCc1ccccc1- InChIKey
VCSSXVOPQXCETK-UHFFFAOYSA-N- Molecular formula
- C26H24N2O3
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- 4-[(3-Methoxy-2-phenylmethoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one
- IUPAC
- 4-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one
- English name
- 4-[2-(benzyloxy)-3-methoxybenzylidene]-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
- Molecular formula
- C26H24N2O3
- Molecular weight
- 412.48
Names & synonyms
4-[2-(benzyloxy)-3-methoxybenzylidene]-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
692261-25-9
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 682
Physicochemical properties
- Boiling point
- 574.27 · 574.270±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.146 · 1.146±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.121 · -0.121±0.40(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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