Basic information
- Standard SMILES
Oc1ccc(C2=C(C(F)(F)F)c3ccc(O)cc3OC2c2ccc(OCCN3CCCCC3)cc2)cc1- InChIKey
KFQBHFZZFCSSFQ-UHFFFAOYSA-N- Molecular formula
- C29H28F3NO4
- Average molar mass
- 511.5 g/mol
Names & identifiers
- Preferred name
- 7-Hydroxy-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)-phenyl]-4-(trifluoromethyl)-2h-1-benzopyran
- IUPAC
- 3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
Names & synonyms
7-hydroxy-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)-phenyl]-4-(trifluoromethyl)-2h-1-benzopyranSCHEMBL3697768
Database identifiers
- PubChem CID
- 9827735
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 768
Related reactions
1 records
Compound notes
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