1-[3-(2-methylphenoxy)propyl]benzotriazole

C16H17N3O — CID 3161273

IUPAC1-[3-(2-methylphenoxy)propyl]benzotriazole
SMILESCc1ccccc1OCCCn1nnc2ccccc21
InChIInChI=1S/C16H17N3O/c1-13-7-2-5-10-16(13)20-12-6-11-19-15-9-4-3-8-14(15)17-18-19/h2-5,7-10H,6,11-12H2,1H3
InChIKeyUGVOFVSRDVSXPT-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.21
Rot. Bonds5

About 1-[3-(2-methylphenoxy)propyl]benzotriazole

1-[3-(2-methylphenoxy)propyl]benzotriazole (PubChem CID 3161273) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[3-(2-methylphenoxy)propyl]benzotriazole.

Molecular Properties

Compound Name1-[3-(2-methylphenoxy)propyl]benzotriazole
PubChem CID3161273
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[3-(2-methylphenoxy)propyl]benzotriazole
SMILESCc1ccccc1OCCCn1nnc2ccccc21
InChIInChI=1S/C16H17N3O/c1-13-7-2-5-10-16(13)20-12-6-11-19-15-9-4-3-8-14(15)17-18-19/h2-5,7-10H,6,11-12H2,1H3
InChIKeyUGVOFVSRDVSXPT-UHFFFAOYSA-N
XLogP3.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.21
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-[3-(2,3-dimethylphenoxy)propyl]benzotriazole
CID 2987716
1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole
CID 6490952
1-[2-(2,6-dimethylphenoxy)ethyl]benzotriazole
CID 6490953
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-(3-chloropropyl)benzotriazole
CID 5243938
1-tridecylbenzotriazole
CID 21059042
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
4-(benzotriazol-1-yl)butyl acetate
CID 3611762
N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine
CID 46991221
silver 1-octylbenzotriazole
CID 19818350
3-(benzotriazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62563385
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenoxy)propyl]benzotriazole?
The IUPAC name of 1-[3-(2-methylphenoxy)propyl]benzotriazole (CID 3161273) is 1-[3-(2-methylphenoxy)propyl]benzotriazole.
What is the SMILES notation for 1-[3-(2-methylphenoxy)propyl]benzotriazole?
The canonical SMILES for 1-[3-(2-methylphenoxy)propyl]benzotriazole is Cc1ccccc1OCCCn1nnc2ccccc21.
What is the InChIKey of 1-[3-(2-methylphenoxy)propyl]benzotriazole?
The InChIKey is UGVOFVSRDVSXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-13-7-2-5-10-16(13)20-12-6-11-19-15-9-4-3-8-14(15)17-18-19/h2-5,7-10H,6,11-12H2,1H3.
What are the key properties of 1-[3-(2-methylphenoxy)propyl]benzotriazole?
1-[3-(2-methylphenoxy)propyl]benzotriazole has a molecular weight of 267.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenoxy)propyl]benzotriazole is sourced from PubChem (CID 3161273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).