4-(2-(4-Chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2,6-dimethoxybenzoate
Basic information
- CAS
302574-92-1- Standard SMILES
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1c(OC)cccc1OC- InChIKey
LVKKGAMSUMMUGF-QGOAFFKASA-N- Molecular formula
- C25H20ClNO5
- Average molar mass
- 449.9 g/mol
- Monoisotopic mass
- 449.1030004
Names & identifiers
- Preferred name
- 4-(2-(4-Chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2,6-dimethoxybenzoate
- IUPAC
- [4-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] 2,6-dimethoxybenzoate
- English name
- 4-(2-(4-Chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2,6-dimethoxybenzoate
- Molecular formula
- C25H20ClNO5
- Molecular weight
- 449.88
Names & synonyms
4-[2-(4-chlorophenyl)-2-cyanovinyl]-2-methoxyphenyl 2,6-dimethoxybenzoate4-(2-(4-CHLOROPHENYL)-2-CYANOVINYL)-2-METHOXYPHENYL 2,6-DIMETHOXYBENZOATEOprea1_164697AKOS002270945ST024077F3284-0340(Z)-4-(2-(4-chlorophenyl)-2-cyanovinyl)-2-methoxyphenyl 2,6-dimethoxybenzoate4-[(1Z)-2-(4-chlorophenyl)-2-cyanovinyl]-2-methoxyphenyl 2,6-dimethoxybenzoateBenzoic acid, 2,6-dimethoxy-, 4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl ester
Database identifiers
- CAS
302574-92-1- PubChem CID
- 978581
- EC Number
- 144-494-7
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 684
Physicochemical properties
- Boiling point
- 664.048 · 664.048±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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