6-tert-butyl-4-(5-chloro-3-methyl-1-benzofuran-2-yl)-2H-chromen-2-one
Basic information
- CAS
846065-71-2- Standard SMILES
Cc1c(-c2cc(=O)oc3ccc(C(C)(C)C)cc23)oc2ccc(Cl)cc12- InChIKey
XRINDDIFFQPGBZ-UHFFFAOYSA-N- Molecular formula
- C22H19ClO3
- Average molar mass
- 366.8 g/mol
Names & identifiers
- Preferred name
- 6-tert-butyl-4-(5-chloro-3-methyl-1-benzofuran-2-yl)-2H-chromen-2-one
- IUPAC
- 6-tert-butyl-4-(5-chloro-3-methyl-1-benzofuran-2-yl)chromen-2-one
- English name
- 6-tert-butyl-4-(5-chloro-3-methyl-1-benzofuran-2-yl)-2H-chromen-2-one
- Molecular formula
- C22H19ClO3
- Molecular weight
- 366.84
Names & synonyms
6-tert-butyl-4-(5-chloro-3-methyl-1-benzofuran-2-yl)-2H-chromen-2-one846065-71-2EiM08-00896STK921644AKOS002223670ST504704776-(tert-butyl)-4-(5-chloro-3-methylbenzo[d]furan-2-yl)chromen-2-one6-(tert-butyl)-4-(5-chloro-3-methylbenzofuran-2-yl)-2H-chromen-2-one2H-1-Benzopyran-2-one, 4-(5-chloro-3-methyl-2-benzofuranyl)-6-(1,1-dimethylethyl)-
Database identifiers
- CAS
846065-71-2
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 593
Physicochemical properties
- Boiling point
- 516.6 · 516.6±50.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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