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

C23H19N3O3 — CID 135648327

IUPAC4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)ccc1O
InChIInChI=1S/C23H19N3O3/c1-29-21-15-16(11-13-20(21)28)12-14-22-24-23(18-9-5-6-10-19(18)27)26(25-22)17-7-3-2-4-8-17/h2-15,27-28H,1H3/b14-12+
InChIKeyOEHZSAHLIXAOHB-WYMLVPIESA-N
MW385.42 g/mol
LogP4.52
Rot. Bonds5

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

4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol (PubChem CID 135648327) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol
PubChem CID135648327
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)ccc1O
InChIInChI=1S/C23H19N3O3/c1-29-21-15-16(11-13-20(21)28)12-14-22-24-23(18-9-5-6-10-19(18)27)26(25-22)17-7-3-2-4-8-17/h2-15,27-28H,1H3/b14-12+
InChIKeyOEHZSAHLIXAOHB-WYMLVPIESA-N
XLogP4.52
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
CID 135419131
2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
CID 2928775
4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]benzene-1,3-diol
CID 135419130
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
CID 135966284
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol
CID 877391
2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 3749691
4-[(E)-2-[1-(2-fluorophenyl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 137158246
2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol
CID 135453214
diethyl-[2-[5-(2-hydroxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-triazol-1-yl]ethyl]azanium chloride
CID 135842658
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 135518353

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol (CID 135648327) is 4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol is COc1cc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)ccc1O.
What is the InChIKey of 4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol?
The InChIKey is OEHZSAHLIXAOHB-WYMLVPIESA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-21-15-16(11-13-20(21)28)12-14-22-24-23(18-9-5-6-10-19(18)27)26(25-22)17-7-3-2-4-8-17/h2-15,27-28H,1H3/b14-12+.
What are the key properties of 4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol?
4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol has a molecular weight of 385.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 135648327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).