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2-(2-Hydroxy-3-octyl-5-methylphenyl)-2H-benzotriazole

HCID 18388784
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCc1cc(C)cc(-n2nc3ccccc3n2)c1O
InChIKey
RUXUPJRIXASAIF-UHFFFAOYSA-N
Molecular formula
C21H27N3O
Average molar mass
337.5 g/mol

Names & identifiers

Preferred name
2-(2-Hydroxy-3-octyl-5-methylphenyl)-2H-benzotriazole
IUPAC
2-(benzotriazol-2-yl)-4-methyl-6-octylphenol

Names & synonyms

SCHEMBL7652115RUXUPJRIXASAIF-UHFFFAOYSA-N2-(2-Hydroxy-3-octyl-5-methylphenyl)-2H-benzotriazole

Database identifiers

PubChem CID
18388784

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
50.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
25
Formal charge
0
Complexity
377

Related reactions

3 records
New reaction record
HRID 279959 reaction equation
HRID 279959As productuspto-grants-1986_05
HRID 653160 reaction equation
HRID 653160As productuspto-grants-1987_06
HRID 2162319 reaction equation
HRID 2162319As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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