(2E)-3-(7-Ethoxy-2,2-dimethyl-4-phenyl-2H-chromen-6-yl)-2-fluoro-but-2-enal
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Basic information
- Standard SMILES
CCOc1cc2c(cc1/C(C)=C(/F)C=O)C(c1ccccc1)=CC(C)(C)O2- InChIKey
IWNJSRGGARBFLF-HMMYKYKNSA-N- Molecular formula
- C23H23FO3
- Average molar mass
- 366.4 g/mol
Names & identifiers
- Preferred name
- (2E)-3-(7-Ethoxy-2,2-dimethyl-4-phenyl-2H-chromen-6-yl)-2-fluoro-but-2-enal
- IUPAC
- (E)-3-(7-ethoxy-2,2-dimethyl-4-phenylchromen-6-yl)-2-fluorobut-2-enal
Names & synonyms
SCHEMBL6275721IWNJSRGGARBFLF-HMMYKYKNSA-N(2E)-3-(7-Ethoxy-2,2-dimethyl-4-phenyl-2H-chromen-6-yl)-2-fluoro-but-2-enal
Database identifiers
- PubChem CID
- 22490763
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 601
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Related reactions
2 records
Compound notes
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