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3-(4'-Fluoro-biphenyl-4-yl)but-2-ene-1-ol

HCID 69477273
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

SCHEMBL5529518OCGQUMCXLYIYSA-UHFFFAOYSA-N3-(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

Related reactions

2 records
New reaction record
HRID 176055 reaction equation
HRID 176055As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1560502 reaction equation
HRID 1560502As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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