Basic information
- Standard SMILES
COc1cc2c(O)cc(C(C)(C)O)c(-c3ccc(C(F)(F)F)cc3)c2cc1OC- InChIKey
IUFIRXCVNMUCNJ-UHFFFAOYSA-N- Molecular formula
- C22H21F3O4
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.13919363
Names & identifiers
- Preferred name
- 1-(4-Trifluoromethylphenyl)-2-(dimethylhydroxymethyl)-4-hydroxy-6,7-dimethoxynaphthalene
- IUPAC
- 3-(2-hydroxypropan-2-yl)-6,7-dimethoxy-4-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
Names & synonyms
1-(4-trifluoromethylphenyl)-2-(dimethylhydroxymethyl)-4-hydroxy-6,7-dimethoxynaphthaleneSCHEMBL3961375
Database identifiers
- PubChem CID
- 68855880
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 545
Related reactions
2 records
Compound notes
Loading…