Basic information
- Standard SMILES
CSc1ccc(C=C2C(C)=C(CCO)c3cc(F)ccc32)cc1- InChIKey
AIPKYOVCYPOWNG-UHFFFAOYSA-N- Molecular formula
- C20H19FOS
- Average molar mass
- 326.4 g/mol
Names & identifiers
- Preferred name
- 2-[6-Fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanol
- IUPAC
- 2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanol
Names & synonyms
SCHEMBL7920390
Database identifiers
- PubChem CID
- 53644863
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Linked notes
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