2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol

C11H12BrN3O2 — CID 65363113

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2ncn[nH]2)c1
InChIInChI=1S/C11H12BrN3O2/c1-17-8-2-3-9(12)7(4-8)5-10(16)11-13-6-14-15-11/h2-4,6,10,16H,5H2,1H3,(H,13,14,15)
InChIKeyMQXLHYCKYRBUDO-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol

2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 65363113) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID65363113
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2ncn[nH]2)c1
InChIInChI=1S/C11H12BrN3O2/c1-17-8-2-3-9(12)7(4-8)5-10(16)11-13-6-14-15-11/h2-4,6,10,16H,5H2,1H3,(H,13,14,15)
InChIKeyMQXLHYCKYRBUDO-UHFFFAOYSA-N
XLogP1.85
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230474
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363361
1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 65361933
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 106886367
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105100016
1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 116752716
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 107969674
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114853149
2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 65327757

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol (CID 65363113) is 2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol is COc1ccc(Br)c(CC(O)c2ncn[nH]2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is MQXLHYCKYRBUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-17-8-2-3-9(12)7(4-8)5-10(16)11-13-6-14-15-11/h2-4,6,10,16H,5H2,1H3,(H,13,14,15).
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 298.14 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 65363113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).