4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole

C17H15N3O — CID 158018374

IUPAC4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole
SMILESCOc1ccc(-c2ccc(C=Cc3cn[nH]n3)cc2)cc1
InChIInChI=1S/C17H15N3O/c1-21-17-10-7-15(8-11-17)14-5-2-13(3-6-14)4-9-16-12-18-20-19-16/h2-12H,1H3,(H,18,19,20)
InChIKeyMDYKJIFXQGGCBI-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.65
Rot. Bonds4

About 4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole

4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole (PubChem CID 158018374) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole
PubChem CID158018374
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole
SMILESCOc1ccc(-c2ccc(C=Cc3cn[nH]n3)cc2)cc1
InChIInChI=1S/C17H15N3O/c1-21-17-10-7-15(8-11-17)14-5-2-13(3-6-14)4-9-16-12-18-20-19-16/h2-12H,1H3,(H,18,19,20)
InChIKeyMDYKJIFXQGGCBI-UHFFFAOYSA-N
XLogP3.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 155653551
carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 176548106
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole
CID 155653556
4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole
CID 155653363
carbon dioxide;4-[4-[2-(2H-triazol-4-yl)ethenyl]phenyl]benzonitrile
CID 176537603
4-[(E)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]ethenyl]-2H-triazole
CID 155653503
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]pyrimidine
CID 57409110
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
CID 92532273
2-(4-methoxyphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]pyridine
CID 132557255
2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine
CID 135025720

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole?
The IUPAC name of 4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole (CID 158018374) is 4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole.
What is the SMILES notation for 4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole?
The canonical SMILES for 4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole is COc1ccc(-c2ccc(C=Cc3cn[nH]n3)cc2)cc1.
What is the InChIKey of 4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole?
The InChIKey is MDYKJIFXQGGCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-21-17-10-7-15(8-11-17)14-5-2-13(3-6-14)4-9-16-12-18-20-19-16/h2-12H,1H3,(H,18,19,20).
What are the key properties of 4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole?
4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole has a molecular weight of 277.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole is sourced from PubChem (CID 158018374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).