3-(5-Chloro-2-methoxyanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Basic information
- CAS
664354-26-1- Standard SMILES
COc1ccc(Cl)cc1NC=CC(=O)c1ccc(OC)c(OC)c1- InChIKey
NOAVZPQLDMYLAI-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO4
- Average molar mass
- 347.8 g/mol
- Monoisotopic mass
- 347.0924357
Names & identifiers
- Preferred name
- 3-(5-Chloro-2-methoxyanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
- IUPAC
- 3-(5-chloro-2-methoxyanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
- English name
- 3-(5-chloro-2-methoxyanilino)-1-(3,4-dimethoxyphenyl)-2-propen-1-one
- Molecular formula
- C18H18ClNO4
- Molecular weight
- 347.79
Names & synonyms
3-(5-chloro-2-methoxyanilino)-1-(3,4-dimethoxyphenyl)-2-propen-1-one
Database identifiers
- CAS
664354-26-1- PubChem CID
- 900286
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 491.22 · 491.220±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.167 · -0.167±0.70(predicted)
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