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

C22H16FN3O — CID 135419173

IUPAC2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1nc(/C=C/c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C22H16FN3O/c23-17-13-10-16(11-14-17)12-15-21-24-22(19-8-4-5-9-20(19)27)26(25-21)18-6-2-1-3-7-18/h1-15,27H/b15-12+
InChIKeyGCESTEIGCCWYLL-NTCAYCPXSA-N
MW357.39 g/mol
LogP4.95
Rot. Bonds4

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

2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol (PubChem CID 135419173) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
PubChem CID135419173
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1nc(/C=C/c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C22H16FN3O/c23-17-13-10-16(11-14-17)12-15-21-24-22(19-8-4-5-9-20(19)27)26(25-21)18-6-2-1-3-7-18/h1-15,27H/b15-12+
InChIKeyGCESTEIGCCWYLL-NTCAYCPXSA-N
XLogP4.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
CID 135437607
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
CID 443276
2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 2305193
2-(3-(biphenyl-4-yl)-5-methyl-4H-1,2,4-triazol-4-yl)phenol
CID 10958392
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 57691336
2-(3-ethyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 895860
3-[3-(Dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
CID 11537712
3-[3-(Dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol
CID 11602862
3-[3-Ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-2-methylphenol
CID 71762742
4-{(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1H-1,2,4-triazol-3-yl]ethenyl}benzene-1,3-diol
CID 135419130
2-{3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
CID 135419131
2-{1-phenyl-3-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-5-yl}phenol
CID 135419167

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol (CID 135419173) is 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol is Oc1ccccc1-c1nc(/C=C/c2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The InChIKey is GCESTEIGCCWYLL-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-17-13-10-16(11-14-17)12-15-21-24-22(19-8-4-5-9-20(19)27)26(25-21)18-6-2-1-3-7-18/h1-15,27H/b15-12+.
What are the key properties of 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol has a molecular weight of 357.39 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135419173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).