Basic information
- Standard SMILES
Cc1cc(O)c(C(=O)C=Cc2ccc(OC(F)(F)F)c(Cl)c2)c(=O)o1- InChIKey
JLDXDFHBUSMRLY-UHFFFAOYSA-N- Molecular formula
- C16H10ClF3O5
- Average molar mass
- 374.69 g/mol
- Monoisotopic mass
- 374.0168856
Names & identifiers
- Preferred name
- 4-hydroxy-3-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-oxo-2-propenyl]-6-methyl-2H-pyran-2-one
- IUPAC
- 3-[3-[3-chloro-4-(trifluoromethoxy)phenyl]prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
Names & synonyms
4-hydroxy-3-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-oxo-2-propenyl]-6-methyl-2H-pyran-2-oneSCHEMBL5632934JLDXDFHBUSMRLY-UHFFFAOYSA-NZPUBWXFGGNWAJF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 136367342
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 651
Related reactions
3 records
Compound notes
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