4-hydroxy-3-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-oxo-2-propenyl]-6-methyl-2H-pyran-2-one

HCID 136367342

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

Related reactions

3 records

Compound notes

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