Basic information
- Standard SMILES
COC(=O)CCc1ccc(OC[C@H](Cc2ccccc2)Oc2ccc(C(OCc3ccc(OC)cc3)(C(F)(F)F)C(F)(F)F)cc2C)cc1- InChIKey
XJFFREYPMIVZLN-YTTGMZPUSA-N- Molecular formula
- C37H36F6O6
- Average molar mass
- 690.7 g/mol
- Monoisotopic mass
- 690.24160784
Names & identifiers
- Preferred name
- 3-[4-((S)-2-{2-methyl-4-[2,2,2-trifluoro-1-(4-methoxy-benzyloxy)-1-trifluoromethyl-ethyl]-phenoxy}-3-phenyl-propoxy)-phenyl]-propionic acid methyl ester
- IUPAC
- methyl 3-[4-[(2S)-2-[4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methylphenoxy]-3-phenylpropoxy]phenyl]propanoate
Names & synonyms
3-[4-((S)-2-{2-methyl-4-[2,2,2-trifluoro-1-(4-methoxy-benzyloxy)-1-trifluoromethyl-ethyl]-phenoxy}-3-phenyl-propoxy)-phenyl]-propionic acid methyl esterSCHEMBL39861383-[4-( (S)-2-{2-methyl-4-[2,2,2-trifluoro-1-(4-methoxy-benzyloxy)-1-trifluoromethyl-ethyl]-phenoxy}-3-phenyl-propoxy)-phenyl]-propionic acid methyl ester
Database identifiers
- PubChem CID
- 86604231
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 955
Related reactions
2 records
Compound notes
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