2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol

C11H12FN3O2 — CID 104793687

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol
SMILESCOc1cccc(CC(O)c2cn[nH]n2)c1F
InChIInChI=1S/C11H12FN3O2/c1-17-10-4-2-3-7(11(10)12)5-9(16)8-6-13-15-14-8/h2-4,6,9,16H,5H2,1H3,(H,13,14,15)
InChIKeyQKMXAUGZIYELLI-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.23
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol

2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol (PubChem CID 104793687) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol
PubChem CID104793687
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol
SMILESCOc1cccc(CC(O)c2cn[nH]n2)c1F
InChIInChI=1S/C11H12FN3O2/c1-17-10-4-2-3-7(11(10)12)5-9(16)8-6-13-15-14-8/h2-4,6,9,16H,5H2,1H3,(H,13,14,15)
InChIKeyQKMXAUGZIYELLI-UHFFFAOYSA-N
XLogP1.23
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 104793222
2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol
CID 113453764
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 104793243
2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone
CID 104793521
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 106695530
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115832675
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554076
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832698

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol (CID 104793687) is 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol is COc1cccc(CC(O)c2cn[nH]n2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol?
The InChIKey is QKMXAUGZIYELLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-17-10-4-2-3-7(11(10)12)5-9(16)8-6-13-15-14-8/h2-4,6,9,16H,5H2,1H3,(H,13,14,15).
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol?
2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol has a molecular weight of 237.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol is sourced from PubChem (CID 104793687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).