4-(Cyclohexyl{2-ethyl-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl}methoxy)benzoic acid

HCID 68514596
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Basic information

Standard SMILES
CCc1sc(-c2ccc(C(F)(F)F)cc2)cc1C(Oc1ccc(C(=O)O)cc1)C1CCCCC1
InChIKey
IOHJBNRNCNNSGR-UHFFFAOYSA-N
Molecular formula
C27H27F3O3S
Average molar mass
488.6 g/mol
Monoisotopic mass
488.16330038

Names & identifiers

Preferred name
4-(Cyclohexyl{2-ethyl-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl}methoxy)benzoic acid
IUPAC
4-[cyclohexyl-[2-ethyl-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methoxy]benzoic acid

Names & synonyms

4-(cyclohexyl{2-ethyl-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl}methoxy)benzoic acidSCHEMBL3107709

Database identifiers

PubChem CID
68514596

Properties

Computed structural properties

XLogP
8.4
Topological polar surface area
74.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
34

Related reactions

3 records
New reaction record

Compound notes

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4-(Cyclohexyl{2-ethyl-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl}methoxy)benzoic acid (HCID 68514596)｜Huagongshe