Ethyl 4-(hydroxy{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)benzoate

HCID 66939737
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Basic information

Standard SMILES
CCOC(=O)c1ccc(C(O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1
InChIKey
XVSPEZWQHYATND-UHFFFAOYSA-N
Molecular formula
C21H17F3O4
Average molar mass
390.4 g/mol

Names & identifiers

Preferred name
Ethyl 4-(hydroxy{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)benzoate
IUPAC
ethyl 4-[hydroxy-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzoate

Names & synonyms

ethyl 4-(hydroxy{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methyl)benzoateSCHEMBL1199443

Database identifiers

PubChem CID
66939737

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
59.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
28

Related reactions

4 records
New reaction record

Compound notes

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