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

C22H17N3O2 — CID 2928775

IUPAC2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
SMILESOc1ccc(C=Cc2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17N3O2/c26-18-13-10-16(11-14-18)12-15-21-23-22(19-8-4-5-9-20(19)27)25(24-21)17-6-2-1-3-7-17/h1-15,26-27H
InChIKeyURSCGRASVSZIBN-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.52
Rot. Bonds4

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

2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol (PubChem CID 2928775) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
PubChem CID2928775
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
SMILESOc1ccc(C=Cc2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17N3O2/c26-18-13-10-16(11-14-18)12-15-21-23-22(19-8-4-5-9-20(19)27)25(24-21)17-6-2-1-3-7-17/h1-15,26-27H
InChIKeyURSCGRASVSZIBN-UHFFFAOYSA-N
XLogP4.52
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol (CID 2928775) is 2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol is Oc1ccc(C=Cc2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The InChIKey is URSCGRASVSZIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-18-13-10-16(11-14-18)12-15-21-23-22(19-8-4-5-9-20(19)27)25(24-21)17-6-2-1-3-7-17/h1-15,26-27H.
What are the key properties of 2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol has a molecular weight of 355.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 2928775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).