5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol

C16H15N3O2 — CID 135966284

IUPAC5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
SMILESCOc1ccc(-c2nc(C)nn2-c2ccccc2)c(O)c1
InChIInChI=1S/C16H15N3O2/c1-11-17-16(14-9-8-13(21-2)10-15(14)20)19(18-11)12-6-4-3-5-7-12/h3-10,20H,1-2H3
InChIKeyLEFCOKIQGYIZHP-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.96
Rot. Bonds3

About 5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol

5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol (PubChem CID 135966284) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
PubChem CID135966284
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
SMILESCOc1ccc(-c2nc(C)nn2-c2ccccc2)c(O)c1
InChIInChI=1S/C16H15N3O2/c1-11-17-16(14-9-8-13(21-2)10-15(14)20)19(18-11)12-6-4-3-5-7-12/h3-10,20H,1-2H3
InChIKeyLEFCOKIQGYIZHP-UHFFFAOYSA-N
XLogP2.96
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 1246846
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol
CID 135648327
2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
CID 135419131
5-methoxy-2-[2-(3-methoxyphenyl)pyrazol-3-yl]phenol
CID 135520262
1-[2-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]phenyl]ethanone
CID 4562650
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080
2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol
CID 877391
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
CID 13163603
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
5-methoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
CID 135465524

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol (CID 135966284) is 5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol is COc1ccc(-c2nc(C)nn2-c2ccccc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is LEFCOKIQGYIZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-17-16(14-9-8-13(21-2)10-15(14)20)19(18-11)12-6-4-3-5-7-12/h3-10,20H,1-2H3.
What are the key properties of 5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol?
5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 281.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 135966284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).