Basic information
- Standard SMILES
CC(C)Cc1ccc(C#Cc2cc(F)c3c(c2)OCC(C=O)=C3)cc1- InChIKey
XVFGSYYBZPRYKQ-UHFFFAOYSA-N- Molecular formula
- C22H19FO2
- Average molar mass
- 334.4 g/mol
Names & identifiers
- Preferred name
- 5-Fluoro-7-((4-isobutylphenyl)ethynyl)-2H-chromene-3-carbaldehyde
- IUPAC
- 5-fluoro-7-[2-[4-(2-methylpropyl)phenyl]ethynyl]-2H-chromene-3-carbaldehyde
Names & synonyms
5-Fluoro-7-((4-isobutylphenyl)ethynyl)-2H-chromene-3-carbaldehyde5-fluoro-7-[(4-isobutylphenyl)ethynyl]-2H-chromene-3-carbaldehydeSCHEMBL2327128XVFGSYYBZPRYKQ-UHFFFAOYSA-NDB-1398111228581-37-0
Database identifiers
- PubChem CID
- 58438685
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 559
Related reactions
2 records
Compound notes
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