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

C11H11N3O3 — CID 117337590

IUPACmethyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1cccc(-n2nccn2)c1
InChIInChI=1S/C11H11N3O3/c1-17-11(16)10(15)8-3-2-4-9(7-8)14-12-5-6-13-14/h2-7,10,15H,1H3
InChIKeyGPTIOKDNOJRIFK-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.47
Rot. Bonds3

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

methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate (PubChem CID 117337590) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate
PubChem CID117337590
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Namemethyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1cccc(-n2nccn2)c1
InChIInChI=1S/C11H11N3O3/c1-17-11(16)10(15)8-3-2-4-9(7-8)14-12-5-6-13-14/h2-7,10,15H,1H3
InChIKeyGPTIOKDNOJRIFK-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

2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetic acid
CID 117311807
methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate
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methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
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methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate
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methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate
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methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate
CID 117414843
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate
CID 117108625
3-[3-(triazol-2-yl)phenyl]butanal
CID 117306812
ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate
CID 117461833
methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate
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methyl 2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate (CID 117337590) is methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate is COC(=O)C(O)c1cccc(-n2nccn2)c1.
What is the InChIKey of methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate?
The InChIKey is GPTIOKDNOJRIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-11(16)10(15)8-3-2-4-9(7-8)14-12-5-6-13-14/h2-7,10,15H,1H3.
What are the key properties of methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate?
methyl 2-hydroxy-2-[3-(triazol-2-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-(triazol-2-yl)phenyl]acetate is sourced from PubChem (CID 117337590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).