1-(1-phenoxyhexyl)benzotriazole

C18H21N3O — CID 3453762

IUPAC1-(1-phenoxyhexyl)benzotriazole
SMILESCCCCCC(Oc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C18H21N3O/c1-2-3-5-14-18(22-15-10-6-4-7-11-15)21-17-13-9-8-12-16(17)19-20-21/h4,6-13,18H,2-3,5,14H2,1H3
InChIKeyHNXMZYISKZYKHP-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.59
Rot. Bonds7

About 1-(1-phenoxyhexyl)benzotriazole

1-(1-phenoxyhexyl)benzotriazole (PubChem CID 3453762) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(1-phenoxyhexyl)benzotriazole.

Molecular Properties

Compound Name1-(1-phenoxyhexyl)benzotriazole
PubChem CID3453762
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(1-phenoxyhexyl)benzotriazole
SMILESCCCCCC(Oc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C18H21N3O/c1-2-3-5-14-18(22-15-10-6-4-7-11-15)21-17-13-9-8-12-16(17)19-20-21/h4,6-13,18H,2-3,5,14H2,1H3
InChIKeyHNXMZYISKZYKHP-UHFFFAOYSA-N
XLogP4.59
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxyoctyl)benzotriazole
CID 169096001
1-octan-3-ylbenzotriazole;hydrobromide
CID 174928412
1-(1-chlorododecyl)benzotriazole
CID 4561404
1-[1-(2-ethylphenoxy)butyl]benzotriazole
CID 10803833
1-[phenoxy(phenyl)methyl]benzotriazole
CID 3778951
1-(1-methylsulfanylpentyl)benzotriazole
CID 3754515
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
1-(1,1,1-trifluoropentan-2-yl)benzotriazole
CID 70935119
1-[1-(1-methylpyrrol-3-yl)nonyl]benzotriazole
CID 4610097
undecan-6-yloxybenzene
CID 130316504
1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole
CID 3768632
N-[1-(benzotriazol-1-yl)ethyl]-N-dodecyldodecan-1-amine
CID 67608822

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenoxyhexyl)benzotriazole?
The IUPAC name of 1-(1-phenoxyhexyl)benzotriazole (CID 3453762) is 1-(1-phenoxyhexyl)benzotriazole.
What is the SMILES notation for 1-(1-phenoxyhexyl)benzotriazole?
The canonical SMILES for 1-(1-phenoxyhexyl)benzotriazole is CCCCCC(Oc1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 1-(1-phenoxyhexyl)benzotriazole?
The InChIKey is HNXMZYISKZYKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-3-5-14-18(22-15-10-6-4-7-11-15)21-17-13-9-8-12-16(17)19-20-21/h4,6-13,18H,2-3,5,14H2,1H3.
What are the key properties of 1-(1-phenoxyhexyl)benzotriazole?
1-(1-phenoxyhexyl)benzotriazole has a molecular weight of 295.39 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenoxyhexyl)benzotriazole is sourced from PubChem (CID 3453762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).