4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole

C13H17N3O — CID 112719037

IUPAC4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole
SMILESCOc1ccc(C(C)Cc2cn[nH]n2)c(C)c1
InChIInChI=1S/C13H17N3O/c1-9(6-11-8-14-16-15-11)13-5-4-12(17-3)7-10(13)2/h4-5,7-9H,6H2,1-3H3,(H,14,15,16)
InChIKeyPKWJSQGFCFUTKZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.47
Rot. Bonds4

About 4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole

4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole (PubChem CID 112719037) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole
PubChem CID112719037
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole
SMILESCOc1ccc(C(C)Cc2cn[nH]n2)c(C)c1
InChIInChI=1S/C13H17N3O/c1-9(6-11-8-14-16-15-11)13-5-4-12(17-3)7-10(13)2/h4-5,7-9H,6H2,1-3H3,(H,14,15,16)
InChIKeyPKWJSQGFCFUTKZ-UHFFFAOYSA-N
XLogP2.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-bromo-4,5-dimethoxyphenyl)propyl]-2H-triazole
CID 112719708
4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole
CID 112719530
1-benzyl-4-[2-(4-methoxy-2-methylphenyl)propyl]triazole
CID 112719043
4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole
CID 112719219
4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]-2H-triazole
CID 112717954
1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 43482752
4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole
CID 112719680
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114878225
2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine
CID 83936405
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114991158
4-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-2H-triazole
CID 112717204
1-(1-bromopropyl)-4-methoxy-2-methylbenzene
CID 61097886

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole?
The IUPAC name of 4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole (CID 112719037) is 4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole.
What is the SMILES notation for 4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole?
The canonical SMILES for 4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole is COc1ccc(C(C)Cc2cn[nH]n2)c(C)c1.
What is the InChIKey of 4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole?
The InChIKey is PKWJSQGFCFUTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(6-11-8-14-16-15-11)13-5-4-12(17-3)7-10(13)2/h4-5,7-9H,6H2,1-3H3,(H,14,15,16).
What are the key properties of 4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole?
4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole has a molecular weight of 231.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole is sourced from PubChem (CID 112719037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).