Basic information
- Standard SMILES
COc1ccc(OC(F)(F)F)cc1C(O)C#Cc1ccccc1- InChIKey
IWOYVOLNCFLGQB-UHFFFAOYSA-N- Molecular formula
- C17H13F3O3
- Average molar mass
- 322.28 g/mol
- Monoisotopic mass
- 322.08167876
Names & identifiers
- Preferred name
- 1-(2-Methoxy-5-trifluoromethoxy-phenyl)-3-phenyl-prop-2-yn-1-ol
- IUPAC
- 1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-phenylprop-2-yn-1-ol
Names & synonyms
1-(2-Methoxy-5-trifluoromethoxy-phenyl)-3-phenyl-prop-2-yn-1-olSCHEMBL1534442
Database identifiers
- PubChem CID
- 67067693
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Related reactions
2 records
Compound notes
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