2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol

C23H19N3O2 — CID 135437607

IUPAC2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-19-14-11-17(12-15-19)13-16-22-24-23(20-9-5-6-10-21(20)27)26(25-22)18-7-3-2-4-8-18/h2-16,27H,1H3/b16-13+
InChIKeyRZHQXFXLIKOEAO-DTQAZKPQSA-N
MW369.42 g/mol
LogP4.82
Rot. Bonds5

About 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol

2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol (PubChem CID 135437607) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
PubChem CID135437607
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-19-14-11-17(12-15-19)13-16-22-24-23(20-9-5-6-10-21(20)27)26(25-22)18-7-3-2-4-8-18/h2-16,27H,1H3/b16-13+
InChIKeyRZHQXFXLIKOEAO-DTQAZKPQSA-N
XLogP4.82
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol (CID 135437607) is 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol is COc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The InChIKey is RZHQXFXLIKOEAO-DTQAZKPQSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-19-14-11-17(12-15-19)13-16-22-24-23(20-9-5-6-10-21(20)27)26(25-22)18-7-3-2-4-8-18/h2-16,27H,1H3/b16-13+.
What are the key properties of 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol has a molecular weight of 369.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135437607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).