11-[(3RS,4RS)-7-hydroxy-3-(4-hydroxyphenyl)-3-propylchroman-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)undecanoic acid
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Basic information
- Standard SMILES
CCCC1(c2ccc(O)cc2)COc2cc(O)ccc2C1CCCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(=O)O- InChIKey
JIABLGFIYHOZFU-UHFFFAOYSA-N- Molecular formula
- C34H45F5O5
- Average molar mass
- 628.7 g/mol
Names & identifiers
- Preferred name
- 11-[(3RS,4RS)-7-hydroxy-3-(4-hydroxyphenyl)-3-propylchroman-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)undecanoic acid
- IUPAC
- 11-[7-hydroxy-3-(4-hydroxyphenyl)-3-propyl-2,4-dihydrochromen-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)undecanoic acid
Names & synonyms
11-[(3RS,4RS)-7-hydroxy-3-(4-hydroxyphenyl)-3-propylchroman-4-yl]-2-(4,4,5,5,5-pentafluoropentyl)undecanoic acidSCHEMBL7228119
Database identifiers
- PubChem CID
- 10211366
Properties
Computed structural propertiesFilling in
- XLogP
- 11.3
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 18
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 846
Related reactions
1 records
Compound notes
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