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4-Benzyloxy-2-fluoro-phenyl acetic acid

HCID 12136992
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)Cc1ccc(OCc2ccccc2)cc1F
InChIKey
OKMXEYFPGAZRFY-UHFFFAOYSA-N
Molecular formula
C15H13FO3
Average molar mass
260.26 g/mol

Names & identifiers

Preferred name
4-Benzyloxy-2-fluoro-phenyl acetic acid
IUPAC
2-(2-fluoro-4-phenylmethoxyphenyl)acetic acid

Names & synonyms

SCHEMBL4840328SCHEMBL29592409OKMXEYFPGAZRFY-UHFFFAOYSA-N4-Benzyloxy-2-fluoro-phenyl acetic acid

Database identifiers

PubChem CID
12136992

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
289

Related reactions

3 records
New reaction record
HRID 663998 reaction equation
HRID 663998As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 898662 reaction equation
HRID 898662As productuspto-grants-2008_04
HRID 1583068 reaction equation
HRID 1583068As productuspto-grants-2004_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes