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4'-Acetoxy-3-fluoro-5-hydroxystilbene

HCID 68744800
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Oc1ccc(C=Cc2cc(O)cc(F)c2)cc1
InChIKey
OAKXGWWZEKTFJH-UHFFFAOYSA-N
Molecular formula
C16H13FO3
Average molar mass
272.27 g/mol

Names & identifiers

Preferred name
4'-Acetoxy-3-fluoro-5-hydroxystilbene
IUPAC
[4-[2-(3-fluoro-5-hydroxyphenyl)ethenyl]phenyl] acetate

Names & synonyms

SCHEMBL3688259OAKXGWWZEKTFJH-UHFFFAOYSA-N4'-acetoxy-3-fluoro-5-hydroxystilbene

Database identifiers

PubChem CID
68744800

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
348

Related reactions

6 records
New reaction record
HRID 78885 reaction equation
HRID 78885As productuspto-grants-2014_09
HRID 78886 reaction equation
HRID 78886As reactantuspto-grants-2014_09
HRID 159203 reaction equation
HRID 159203As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 825438 reaction equation
HRID 825438As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 2236346 reaction equation
HRID 2236346As productuspto-grants-2010_05
HRID 2236347 reaction equation
HRID 2236347As reactantuspto-grants-2010_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes