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alpha-Methoxy-beta-[4-(4-trifluoromethylphenoxy)phenoxy]propane

HCID 23332249
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCC(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIKey
LLKKJUSCHFSPOQ-UHFFFAOYSA-N
Molecular formula
C17H17F3O3
Average molar mass
326.31 g/mol

Names & identifiers

Preferred name
alpha-Methoxy-beta-[4-(4-trifluoromethylphenoxy)phenoxy]propane
IUPAC
1-(1-methoxypropan-2-yloxy)-4-[4-(trifluoromethyl)phenoxy]benzene

Names & synonyms

alpha-Methoxy-beta-[4-(4-trifluoromethylphenoxy)phenoxy]propaneSCHEMBL11466280alpha-Methoxy-beta-[4-(4-trifluoromethylphenoxy)-phenoxy]propane

Database identifiers

PubChem CID
23332249

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
332

Related reactions

3 records
New reaction record
HRID 224219 reaction equation
HRID 224219As productuspto-grants-1980_11
HRID 286014 reaction equation
HRID 286014As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 2419158 reaction equation
HRID 2419158As productuspto-grants-1978_08

Compound notes

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