1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole

C20H23N3O — CID 112719120

IUPAC1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole
SMILESCCn1cc(CC(C)c2ccc(Oc3ccccc3)cc2C)nn1
InChIInChI=1S/C20H23N3O/c1-4-23-14-17(21-22-23)12-15(2)20-11-10-19(13-16(20)3)24-18-8-6-5-7-9-18/h5-11,13-15H,4,12H2,1-3H3
InChIKeyQPZZOQOJOFBWIC-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.74
Rot. Bonds6

About 1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole

1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole (PubChem CID 112719120) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole.

Molecular Properties

Compound Name1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole
PubChem CID112719120
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole
SMILESCCn1cc(CC(C)c2ccc(Oc3ccccc3)cc2C)nn1
InChIInChI=1S/C20H23N3O/c1-4-23-14-17(21-22-23)12-15(2)20-11-10-19(13-16(20)3)24-18-8-6-5-7-9-18/h5-11,13-15H,4,12H2,1-3H3
InChIKeyQPZZOQOJOFBWIC-UHFFFAOYSA-N
XLogP4.74
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[2-(4-methoxy-2-methylphenyl)propyl]triazole
CID 112719043
1-(2-methyl-4-phenoxyphenyl)ethanol
CID 82264634
1-(4-bromobutan-2-yl)-2-methyl-4-phenoxybenzene
CID 83937210
4-[2-(2,3-dimethyl-4-propoxyphenyl)propyl]-1-ethyltriazole
CID 112719366
6-(2-methyl-4-phenoxyphenyl)heptane-3,4-diol
CID 83937319
4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole
CID 112719733
1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole
CID 112718617
1-ethyl-4-[2-(5-ethylthiophen-2-yl)propyl]triazole
CID 112718224
4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline
CID 112718097
1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole
CID 112719041
4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole
CID 112719520
3-(2-methyl-4-phenoxyphenyl)butyl thiocyanate
CID 112719113

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole?
The IUPAC name of 1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole (CID 112719120) is 1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole.
What is the SMILES notation for 1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole?
The canonical SMILES for 1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole is CCn1cc(CC(C)c2ccc(Oc3ccccc3)cc2C)nn1.
What is the InChIKey of 1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole?
The InChIKey is QPZZOQOJOFBWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-4-23-14-17(21-22-23)12-15(2)20-11-10-19(13-16(20)3)24-18-8-6-5-7-9-18/h5-11,13-15H,4,12H2,1-3H3.
What are the key properties of 1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole?
1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole has a molecular weight of 321.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole is sourced from PubChem (CID 112719120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).