Basic information
- Standard SMILES
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(-c5c(C)cc(CCC(C)(C)O)cc5C)ccc(F)c43)ccc21- InChIKey
JPSJSMBSHQLFIB-SKCUWOTOSA-N- Molecular formula
- C33H37FO5
- Average molar mass
- 532.6 g/mol
Names & identifiers
- Preferred name
- Methyl 2-((S)-6-((R)-7-fluoro-4-(4-(3-hydroxy-3-methylbutyl)-2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate
- IUPAC
- methyl 2-[(3S)-6-[[(1R)-7-fluoro-4-[4-(3-hydroxy-3-methylbutyl)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
Names & synonyms
SCHEMBL15262220JPSJSMBSHQLFIB-SKCUWOTOSA-NMethyl 2-((S)-6-((R)-7-fluoro-4-(4-(3-hydroxy-3-methylbutyl)-2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate
Database identifiers
- PubChem CID
- 86697201
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 821
Related reactions
2 records
Compound notes
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