1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone

C11H11N3O2 — CID 178069289

IUPAC1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone
SMILESCOc1ccccc1C(=O)Cn1ccnn1
InChIInChI=1S/C11H11N3O2/c1-16-11-5-3-2-4-9(11)10(15)8-14-7-6-12-13-14/h2-7H,8H2,1H3
InChIKeyDPJSNTGEPKBTMX-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.17
Rot. Bonds4

About 1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone

1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone (PubChem CID 178069289) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone
PubChem CID178069289
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone
SMILESCOc1ccccc1C(=O)Cn1ccnn1
InChIInChI=1S/C11H11N3O2/c1-16-11-5-3-2-4-9(11)10(15)8-14-7-6-12-13-14/h2-7H,8H2,1H3
InChIKeyDPJSNTGEPKBTMX-UHFFFAOYSA-N
XLogP1.17
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide
CID 124608281
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
(1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol
CID 178069278
5-[2-(2-methoxyphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735022
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
1-[2-(2-methoxyphenyl)-2-oxoethyl]-3-nitropyridin-4-one
CID 80611466
1-[2-(2-methoxyphenyl)-2-oxoethyl]-6-methylpyridin-2-one
CID 62024011
2-indazol-1-yl-1-(2-methoxyphenyl)ethanone
CID 62140573
3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one
CID 116581224
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone
CID 62129748
3-methoxy-2-(triazol-1-yl)benzoic acid
CID 67086877
4,4-difluoro-1-(2-methoxyphenyl)but-3-en-1-one
CID 102156316

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone (CID 178069289) is 1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone is COc1ccccc1C(=O)Cn1ccnn1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone?
The InChIKey is DPJSNTGEPKBTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-11-5-3-2-4-9(11)10(15)8-14-7-6-12-13-14/h2-7H,8H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone?
1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone has a molecular weight of 217.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone is sourced from PubChem (CID 178069289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).