(2E)-2-Fluoro-3-(4-isopropyl-7-methoxy-2,2-dimethyl-2H-chromen-6-yl)-but-2-enal
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Basic information
- Standard SMILES
COc1cc2c(cc1/C(C)=C(/F)C=O)C(C(C)C)=CC(C)(C)O2- InChIKey
ZHKXDFPRHCKSBY-FOWTUZBSSA-N- Molecular formula
- C19H23FO3
- Average molar mass
- 318.4 g/mol
Names & identifiers
- Preferred name
- (2E)-2-Fluoro-3-(4-isopropyl-7-methoxy-2,2-dimethyl-2H-chromen-6-yl)-but-2-enal
- IUPAC
- (E)-2-fluoro-3-(7-methoxy-2,2-dimethyl-4-propan-2-ylchromen-6-yl)but-2-enal
Names & synonyms
SCHEMBL6279608ZHKXDFPRHCKSBY-FOWTUZBSSA-N(2E)-2-Fluoro-3-(4-isopropyl-7-methoxy-2 2-dimethyl-2H-chromen-6-yl)-but-2-enal(2E)-2-Fluoro-3-(4-isopropyl-7-methoxy-2,2-dimethyl-2H-chromen-6-yl)-but-2-enal
Database identifiers
- PubChem CID
- 22490793
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 519
Related reactions
2 records
Compound notes
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