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2-(4-Bromophenethyl)-benzyl alcohol

HCID 54337302
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OCc1ccccc1CCc1ccc(Br)cc1
InChIKey
TWKBWGGYWLZGFB-UHFFFAOYSA-N
Molecular formula
C15H15BrO
Average molar mass
291.18 g/mol
Monoisotopic mass
290.03063

Names & identifiers

Preferred name
2-(4-Bromophenethyl)-benzyl alcohol
IUPAC
[2-[2-(4-bromophenyl)ethyl]phenyl]methanol

Names & synonyms

SCHEMBL11782450TWKBWGGYWLZGFB-UHFFFAOYSA-N2-(4-Bromophenethyl)-benzyl alcohol

Database identifiers

PubChem CID
54337302

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
211

Related reactions

4 records
New reaction record
HRID 94717 reaction equation
HRID 94717As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1288543 reaction equation
HRID 1288543As productuspto-grants-1976_10
HRID 1288544 reaction equation
HRID 1288544As reactantuspto-grants-1976_10
HRID 1555936 reaction equation
HRID 1555936As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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