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4-Hydroxy-3-methoxyphenylacetic acid pentafluorophenyl ester

HCID 22507380
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(CC(=O)Oc2c(F)c(F)c(F)c(F)c2F)ccc1O
InChIKey
UTLVBWXAHVJTDR-UHFFFAOYSA-N
Molecular formula
C15H9F5O4
Average molar mass
348.22 g/mol

Names & identifiers

Preferred name
4-Hydroxy-3-methoxyphenylacetic acid pentafluorophenyl ester
IUPAC
(2,3,4,5,6-pentafluorophenyl) 2-(4-hydroxy-3-methoxyphenyl)acetate

Names & synonyms

SCHEMBL6100423UTLVBWXAHVJTDR-UHFFFAOYSA-N4-hydroxy-3-methoxyphenylacetic acid pentafluorophenyl ester

Database identifiers

PubChem CID
22507380

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
24
Formal charge
0
Complexity
424

Related reactions

4 records
New reaction record
HRID 7054 reaction equation
HRID 7054As productuspto-grants-2006_08
HRID 7062 reaction equation
HRID 7062As reactantuspto-grants-2006_08
HRID 317726 reaction equation
HRID 317726As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1212489 reaction equation
HRID 1212489As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes