3-(4-Chloroanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
Basic information
- CAS
333307-80-5- Standard SMILES
COc1ccc(C2CC(=O)C=C(Nc3ccc(Cl)cc3)C2)cc1- InChIKey
YYJXHDLLOKULQF-UHFFFAOYSA-N- Molecular formula
- C19H18ClNO2
- Average molar mass
- 327.8 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chloroanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
- IUPAC
- 3-(4-chloroanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
- English name
- 3-(4-chloroanilino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one
- Molecular formula
- C19H18ClNO2
- Molecular weight
- 327.8
Names & synonyms
3-(4-chloroanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one333307-80-53-(4-chloroanilino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one3-[(4-chlorophenyl)amino]-5-(4-methoxyphenyl)cyclohex-2-en-1-oneSTK026346STK566561AKOS001755539AKOS005492329AKOS022015035NCGC00285645-01AB01285051-01AK-968/13659101
Show more names
2-Cyclohexen-1-one, 3-[(4-chlorophenyl)amino]-5-(4-methoxyphenyl)-
SR-01000534534SR-01000534534-1(3Z)-3-[(4-chlorophenyl)imino]-5-(4-methoxyphenyl)cyclohex-1-en-1-ol5-((4-chlorophenyl)amino)-4'-methoxy-1,6-dihydro-[1,1'-biphenyl]-3(2H)-one
Database identifiers
- CAS
333307-80-5
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Melting point
- 218 · 218-219 °C(Solv: ethanol (64-17-5))
- Boiling point
- 476.7 · 476.7±45.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- pka
- -0.39 · -0.39±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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