7-[(2,4-Dichlorophenyl)methoxy]-3-(4-chlorophenyl)chromen-4-one
Basic information
- CAS
405916-41-8- Standard SMILES
O=c1c(-c2ccc(Cl)cc2)coc2cc(OCc3ccc(Cl)cc3Cl)ccc12- InChIKey
DCVKUGKGWFYSOV-UHFFFAOYSA-N- Molecular formula
- C22H13Cl3O3
- Average molar mass
- 431.7 g/mol
- Monoisotopic mass
- 429.993027
Names & identifiers
- Preferred name
- 7-[(2,4-Dichlorophenyl)methoxy]-3-(4-chlorophenyl)chromen-4-one
- IUPAC
- 3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methoxy]chromen-4-one
- English name
- 3-(4-Chlorophenyl)-7-((2,4-dichlorobenzyl)oxy)-4H-chromen-4-one
- Molecular formula
- C22H13Cl3O3
- Molecular weight
- 431.7
Names & synonyms
3-(4-chlorophenyl)-7-[(2,4-dichlorobenzyl)oxy]-4H-chromen-4-one3-(4-CHLOROPHENYL)-7-((2,4-DICHLOROBENZYL)OXY)-4H-CHROMEN-4-ONEOprea1_515729Oprea1_837962EiM07-23111STK887666AKOS002182922ST500711117-[(2,4-dichlorophenyl)methoxy]-3-(4-chlorophenyl)chromen-4-one3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methoxy]-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 3-(4-chlorophenyl)-7-[(2,4-dichlorophenyl)methoxy]-
Database identifiers
- CAS
405916-41-8- PubChem CID
- 4136747
- EC Number
- 169-036-3
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 588
Physicochemical properties
- Boiling point
- 578.851 · 578.851±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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