1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone

C17H15N3O2 — CID 46742603

IUPAC1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-15-9-7-14(8-10-15)17(21)12-20-11-16(18-19-20)13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyZHRUTUIMKHUCBT-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.84
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone

1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone (PubChem CID 46742603) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone
PubChem CID46742603
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone
SMILESCOc1ccc(C(=O)Cn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-15-9-7-14(8-10-15)17(21)12-20-11-16(18-19-20)13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyZHRUTUIMKHUCBT-UHFFFAOYSA-N
XLogP2.84
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone (CID 46742603) is 1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone is COc1ccc(C(=O)Cn2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone?
The InChIKey is ZHRUTUIMKHUCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-15-9-7-14(8-10-15)17(21)12-20-11-16(18-19-20)13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone?
1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone has a molecular weight of 293.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(4-phenyltriazol-1-yl)ethanone is sourced from PubChem (CID 46742603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).