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2-Benzyl-4-iodophenol

HCID 21942299
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Oc1ccc(I)cc1Cc1ccccc1
InChIKey
ONYBPZKKVKSCGV-UHFFFAOYSA-N
Molecular formula
C13H11IO
Average molar mass
310.13 g/mol

Names & identifiers

Preferred name
2-Benzyl-4-iodophenol
IUPAC
2-benzyl-4-iodophenol

Names & synonyms

2-benzyl-4-iodophenolSCHEMBL5227359ONYBPZKKVKSCGV-UHFFFAOYSA-N2-Benzyl-1-hydroxy-4-iodobenzene464174-33-2DB-217025

Database identifiers

PubChem CID
21942299

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
189

Related reactions

3 records
New reaction record
HRID 166253 reaction equation
HRID 166253As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 2216348 reaction equation
HRID 2216348As productuspto-grants-2006_09
HRID 2216349 reaction equation
HRID 2216349As reactantuspto-grants-2006_09

Compound notes

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