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3-(4-(5-Bromo-2-chlorobenzyl)phenoxy)oxetane

HCID 66615948
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1ccc(Br)cc1Cc1ccc(OC2COC2)cc1
InChIKey
RQKOODSUTSPCKB-UHFFFAOYSA-N
Molecular formula
C16H14BrClO2
Average molar mass
353.64 g/mol
Monoisotopic mass
351.98657

Names & identifiers

Preferred name
3-(4-(5-Bromo-2-chlorobenzyl)phenoxy)oxetane
IUPAC
3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]oxetane

Names & synonyms

SCHEMBL181205RQKOODSUTSPCKB-UHFFFAOYSA-N3-(4-(5-bromo-2-chlorobenzyl)phenoxy)oxetane

Database identifiers

PubChem CID
66615948

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
303

Related reactions

3 records
New reaction record
HRID 151936 reaction equation
HRID 151936As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 659886 reaction equation
HRID 659886As productuspto-grants-2011_12
HRID 659902 reaction equation
HRID 659902As reactantuspto-grants-2011_12

Compound notes

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