Basic information
- Standard SMILES
Cc1c(OS(=O)(=O)C(F)(F)F)ccc2c1OC(c1ccccc1)CC2- InChIKey
DYBXPUTYUNWSSV-UHFFFAOYSA-N- Molecular formula
- C17H15F3O4S
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.06431462
Names & identifiers
- Preferred name
- 8-Methyl-2-phenylchroman-7-yl trifluoromethanesulfonate
- IUPAC
- (8-methyl-2-phenyl-3,4-dihydro-2H-chromen-7-yl) trifluoromethanesulfonate
Names & synonyms
8-methyl-2-phenylchroman-7-yl trifluoromethanesulfonateSCHEMBL123006
Database identifiers
- PubChem CID
- 59375016
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 551
Related reactions
3 records
Compound notes
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