methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate

C11H11N3O3 — CID 117337585

IUPACmethyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1cccc(-n2cncn2)c1
InChIInChI=1S/C11H11N3O3/c1-17-11(16)10(15)8-3-2-4-9(5-8)14-7-12-6-13-14/h2-7,10,15H,1H3
InChIKeyWEXXXSCDZHJSQF-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.47
Rot. Bonds3

About methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate

methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate (PubChem CID 117337585) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate
PubChem CID117337585
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Namemethyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1cccc(-n2cncn2)c1
InChIInChI=1S/C11H11N3O3/c1-17-11(16)10(15)8-3-2-4-9(5-8)14-7-12-6-13-14/h2-7,10,15H,1H3
InChIKeyWEXXXSCDZHJSQF-UHFFFAOYSA-N
XLogP0.47
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate
CID 117337590
methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
CID 117335974
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
N-[(1R)-1-[3-(1,2,4-triazol-1-yl)phenyl]ethyl]ethanesulfonamide
CID 95971403
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
3-(1,2,4-triazol-1-yl)phenol
CID 54592961
methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate
CID 117472059
N-[(1S)-1-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)benzamide
CID 95783316
2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid
CID 117311806
4-nitro-N-[(1R)-1-[3-(1,2,4-triazol-1-yl)phenyl]ethyl]aniline
CID 95971415
methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate
CID 117414843
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119630093

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate (CID 117337585) is methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate is COC(=O)C(O)c1cccc(-n2cncn2)c1.
What is the InChIKey of methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate?
The InChIKey is WEXXXSCDZHJSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-11(16)10(15)8-3-2-4-9(5-8)14-7-12-6-13-14/h2-7,10,15H,1H3.
What are the key properties of methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate?
methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate has a molecular weight of 233.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate is sourced from PubChem (CID 117337585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).