(3RS,4RS)-7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-4-(4-(3-(2-(4,4,5,5,5-pentafluoropentylthio)ethoxy)-(R)-2-hydroxypropyloxy)phenyl)chroman
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Basic information
- Standard SMILES
CC1(c2ccc(O)cc2)COc2cc(O)ccc2C1c1ccc(OC[C@H](O)COCCSCCCC(F)(F)C(F)(F)F)cc1- InChIKey
KPWOFAHVFNDKBC-WDEPAJCISA-N- Molecular formula
- C32H35F5O6S
- Average molar mass
- 642.7 g/mol
Names & identifiers
- Preferred name
- (3RS,4RS)-7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-4-(4-(3-(2-(4,4,5,5,5-pentafluoropentylthio)ethoxy)-(R)-2-hydroxypropyloxy)phenyl)chroman
- IUPAC
- 4-[4-[(2R)-2-hydroxy-3-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethoxy]propoxy]phenyl]-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-7-ol
Names & synonyms
(3RS,4RS)-7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-4-(4-(3-(2-(4,4,5,5,5-pentafluoropentylthio)ethoxy)-(R)-2-hydroxypropyloxy)phenyl)chromanSCHEMBL5856074
Database identifiers
- PubChem CID
- 20599263
Properties
Computed structural propertiesFilling in
- XLogP
- 7.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 851
Related reactions
1 records
Compound notes
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