(2E)-2-Fluoro-3-(4-isopropyl-7-methoxy-2,2-dimethyl-2H-chromen-6-yl)-but-2-en-1-ol
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Basic information
- Standard SMILES
COc1cc2c(cc1/C(C)=C(/F)CO)C(C(C)C)=CC(C)(C)O2- InChIKey
NEDCAHTWSBPZOE-FOWTUZBSSA-N- Molecular formula
- C19H25FO3
- Average molar mass
- 320.4 g/mol
Names & identifiers
- Preferred name
- (2E)-2-Fluoro-3-(4-isopropyl-7-methoxy-2,2-dimethyl-2H-chromen-6-yl)-but-2-en-1-ol
- IUPAC
- (E)-2-fluoro-3-(7-methoxy-2,2-dimethyl-4-propan-2-ylchromen-6-yl)but-2-en-1-ol
Names & synonyms
SCHEMBL6281822NEDCAHTWSBPZOE-FOWTUZBSSA-N(2E)-2-Fluoro-3-(4-isopropyl-7-methoxy-2 2-dimethyl-2H-chromen-6-yl)-but-2-en-1-ol(2E)-2-Fluoro-3-(4-isopropyl-7-methoxy-2,2-dimethyl-2H-chromen-6-yl)-but-2-en-1-ol
Database identifiers
- PubChem CID
- 22490960
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Related reactions
2 records
Compound notes
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