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1-Cyano-3-(4'-fluoro-4-biphenylyl)-butan-3-ol

HCID 21396473
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(O)(CCC#N)c1ccc(-c2ccc(F)cc2)cc1
InChIKey
WOIHBXFCKZABSL-UHFFFAOYSA-N
Molecular formula
C17H16FNO
Average molar mass
269.31 g/mol

Names & identifiers

Preferred name
1-Cyano-3-(4'-fluoro-4-biphenylyl)-butan-3-ol
IUPAC
4-[4-(4-fluorophenyl)phenyl]-4-hydroxypentanenitrile

Names & synonyms

SCHEMBL11690643WOIHBXFCKZABSL-UHFFFAOYSA-N1-cyano-3-(4'-fluoro-4-biphenylyl)-butan-3-ol

Database identifiers

PubChem CID
21396473

Properties

Computed structural properties

XLogP
3
Topological polar surface area
44 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
347

Related reactions

4 records
New reaction record
HRID 138799 reaction equation
HRID 138799As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1124798 reaction equation
HRID 1124798As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1439766 reaction equation
HRID 1439766As productuspto-grants-1977_11
HRID 1439772 reaction equation
HRID 1439772As productuspto-grants-1977_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes