2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone

C20H21N3O3 — CID 73347920

IUPAC2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone
SMILESCOc1ccc(CCn2cc(C(=O)Cc3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-17-7-3-15(4-8-17)11-12-23-14-19(21-22-23)20(24)13-16-5-9-18(26-2)10-6-16/h3-10,14H,11-13H2,1-2H3
InChIKeyYKHVPQSRIYTAMK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.96
Rot. Bonds8

About 2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone

2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone (PubChem CID 73347920) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone
PubChem CID73347920
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone
SMILESCOc1ccc(CCn2cc(C(=O)Cc3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-17-7-3-15(4-8-17)11-12-23-14-19(21-22-23)20(24)13-16-5-9-18(26-2)10-6-16/h3-10,14H,11-13H2,1-2H3
InChIKeyYKHVPQSRIYTAMK-UHFFFAOYSA-N
XLogP2.96
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
CID 79529466
(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone
CID 42415249
4-(4-fluorophenyl)-1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]butane-1,3-dione
CID 67092289
1-[1-(2-aminoethyl)triazol-4-yl]-2-phenylethanone
CID 116583008
3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine
CID 106220877
methyl 1-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazole-3-carboxylate
CID 78925160
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid
CID 65446393
4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol
CID 142449912
1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116590562
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63575381
2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744739
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone (CID 73347920) is 2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone is COc1ccc(CCn2cc(C(=O)Cc3ccc(OC)cc3)nn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone?
The InChIKey is YKHVPQSRIYTAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-17-7-3-15(4-8-17)11-12-23-14-19(21-22-23)20(24)13-16-5-9-18(26-2)10-6-16/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone?
2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone has a molecular weight of 351.41 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone is sourced from PubChem (CID 73347920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).