4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole

C14H19N3O — CID 112719344

IUPAC4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole
SMILESCOc1ccc(CCc2cn(C)nn2)c(C)c1C
InChIInChI=1S/C14H19N3O/c1-10-11(2)14(18-4)8-6-12(10)5-7-13-9-17(3)16-15-13/h6,8-9H,5,7H2,1-4H3
InChIKeyVNSAYEQCIYIKME-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.23
Rot. Bonds4

About 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole

4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole (PubChem CID 112719344) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole.

Molecular Properties

Compound Name4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole
PubChem CID112719344
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole
SMILESCOc1ccc(CCc2cn(C)nn2)c(C)c1C
InChIInChI=1S/C14H19N3O/c1-10-11(2)14(18-4)8-6-12(10)5-7-13-9-17(3)16-15-13/h6,8-9H,5,7H2,1-4H3
InChIKeyVNSAYEQCIYIKME-UHFFFAOYSA-N
XLogP2.23
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[2-(2,3,4-triethoxyphenyl)ethyl]triazole
CID 112718810
4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole
CID 112717080
4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole
CID 112719321
4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole
CID 112719523
1,3-dimethyl-4-[2-(1-methyltriazol-4-yl)ethyl]pyridin-1-ium
CID 118390204
4-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethyl]-1-methyltriazole
CID 112719240
1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 62757557
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064200
ethane;1-methyl-4-propyltriazole
CID 168923376
1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046182
4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol
CID 82473076
4-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]-1-methyltriazole
CID 112719478

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole?
The IUPAC name of 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole (CID 112719344) is 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole.
What is the SMILES notation for 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole?
The canonical SMILES for 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole is COc1ccc(CCc2cn(C)nn2)c(C)c1C.
What is the InChIKey of 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole?
The InChIKey is VNSAYEQCIYIKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-11(2)14(18-4)8-6-12(10)5-7-13-9-17(3)16-15-13/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole?
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole has a molecular weight of 245.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole is sourced from PubChem (CID 112719344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).