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1-(3-Bromopropyl)-4-(4-phenoxybutoxy)benzene

HCID 57443753
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
BrCCCc1ccc(OCCCCOc2ccccc2)cc1
InChIKey
WISYWVSSQVJDRW-UHFFFAOYSA-N
Molecular formula
C19H23BrO2
Average molar mass
363.3 g/mol
Monoisotopic mass
362.08814

Names & identifiers

Preferred name
1-(3-Bromopropyl)-4-(4-phenoxybutoxy)benzene
IUPAC
1-(3-bromopropyl)-4-(4-phenoxybutoxy)benzene

Names & synonyms

SCHEMBL4521863WISYWVSSQVJDRW-UHFFFAOYSA-N1-(3-bromopropyl)-4-(4-phenoxybutoxy)benzene

Database identifiers

PubChem CID
57443753

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
10
Heavy atoms
22
Formal charge
0
Complexity
258

Related reactions

4 records
New reaction record
HRID 94259 reaction equation
HRID 94259As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 801161 reaction equation
HRID 801161As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1782756 reaction equation
HRID 1782756As reactantuspto-grants-2009_03
HRID 1782768 reaction equation
HRID 1782768As reactantuspto-grants-2009_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes