(2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-one
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Basic information
- CAS
2204-33-3- Standard SMILES
O=C(/C=C/C=C/c1ccccc1)c1ccc(Cl)cc1- InChIKey
NJZYARIVQCEJQT-UHFFFAOYSA-N- Molecular formula
- C17H13ClO
- Average molar mass
- 268.7 g/mol
- Monoisotopic mass
- 268.0654927
Overview
See also: 4'-Chloro-5-phenyl-2,4-pentadienophenone (annotation moved to).
Names & identifiers
- Preferred name
- (2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-one
- IUPAC
- (2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-one
- English name
- (2E,4E)-1-(4-CHLOROPHENYL)-5-PHENYLPENTA-2,4-DIEN-1-ONE
- Molecular formula
- C17H13ClO
- Molecular weight
- 268.74
Names & synonyms
(2E,4E)-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-one2204-33-3141368-95-81-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-oneNSC1590542,4-Pentadien-1-one,1-(4-chlorophenyl)-5-phenyl-CHEMBL441953SCHEMBL31353028HMS1477H18AKOS001633048NSC-159054IDI1_020546
Show more names
NSC 687738NSC 1590544'-CHLORO-5-PHENYL-2,4-PENTADIENOPHENONE4'-CHLORO-5-PHENYL-2,4-PENTADIENOPHENONE1-(4-Chlorophenyl)-5-phenyl-2,4-pentadien-1-one1-(4-CHLOROPHENYL)-5-PHENYL-PENTA-2,4-DIEN-1-ONE2,4-Pentadien-1-one, 1-(4-chlorophenyl)-5-phenyl-
CS-0210676(2E,4E)-1-(4-chlorophenyl)-5-phenyl-2,4-pentadien-1-one
Database identifiers
- CAS
2204-33-3
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 127 °C · 127 °C
- Boiling point
- 425.7 · 425.7±45.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Hazard statements
- H412
- Precautionary statements
- P273-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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