Methyl 2-[4-[3-(4-iodophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-2-methylphenoxy]acetate

HCID 91270331
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Basic information

Standard SMILES
COC(=O)COc1ccc(OCC=C(c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1C
InChIKey
KNFXHGJFCGKSSE-UHFFFAOYSA-N
Molecular formula
C26H22F3IO4
Average molar mass
582.3 g/mol
Monoisotopic mass
582.05149

Names & identifiers

Preferred name
Methyl 2-[4-[3-(4-iodophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-2-methylphenoxy]acetate
IUPAC
methyl 2-[4-[3-(4-iodophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-2-methylphenoxy]acetate

Database identifiers

PubChem CID
91270331

Properties

Computed structural properties

XLogP
7.7
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
34

Related reactions

6 records
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Compound notes

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