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Compound
3-(4'-Fluoro-biphenyl-4-yl)but-2-ene-1-ol
HCID
69477273
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(=CCO)c1ccc(-c2ccc(F)cc2)cc1
InChIKey
OCGQUMCXLYIYSA-UHFFFAOYSA-N
Molecular formula
C16H15FO
Average molar mass
242.29 g/mol
Names & identifiers
Preferred name
3-(4'-Fluoro-biphenyl-4-yl)but-2-ene-1-ol
IUPAC
3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
Names & synonyms
SCHEMBL5529518
OCGQUMCXLYIYSA-UHFFFAOYSA-N
3-(4'-fluoro-biphenyl-4-yl)but-2-ene-1-ol
Database identifiers
PubChem CID
69477273
Properties
Computed structural properties
XLogP
4
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
271
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
176055
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
1560502
As product
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Compound notes
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