2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol

C16H14BrN3O2 — CID 14000225

IUPAC2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(c1ccccc1)C(Oc1ccc(Br)cc1)n1cncn1
InChIInChI=1S/C16H14BrN3O2/c17-13-6-8-14(9-7-13)22-16(20-11-18-10-19-20)15(21)12-4-2-1-3-5-12/h1-11,15-16,21H
InChIKeyFAMGPDSDJXFGKU-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol

2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 14000225) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID14000225
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(c1ccccc1)C(Oc1ccc(Br)cc1)n1cncn1
InChIInChI=1S/C16H14BrN3O2/c17-13-6-8-14(9-7-13)22-16(20-11-18-10-19-20)15(21)12-4-2-1-3-5-12/h1-11,15-16,21H
InChIKeyFAMGPDSDJXFGKU-UHFFFAOYSA-N
XLogP3.35
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol (CID 14000225) is 2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol is OC(c1ccccc1)C(Oc1ccc(Br)cc1)n1cncn1.
What is the InChIKey of 2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is FAMGPDSDJXFGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c17-13-6-8-14(9-7-13)22-16(20-11-18-10-19-20)15(21)12-4-2-1-3-5-12/h1-11,15-16,21H.
What are the key properties of 2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol?
2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 360.21 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 14000225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).