4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole

C18H17N3O — CID 155653551

IUPAC4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
SMILESCCOc1ccc(-c2ccc(/C=C/c3cn[nH]n3)cc2)cc1
InChIInChI=1S/C18H17N3O/c1-2-22-18-11-8-16(9-12-18)15-6-3-14(4-7-15)5-10-17-13-19-21-20-17/h3-13H,2H2,1H3,(H,19,20,21)/b10-5+
InChIKeyAOMKYFYWVNTAJQ-BJMVGYQFSA-N
MW291.35 g/mol
LogP4.04
Rot. Bonds5

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

4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole (PubChem CID 155653551) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole.

Molecular Properties

Compound Name4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
PubChem CID155653551
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
SMILESCCOc1ccc(-c2ccc(/C=C/c3cn[nH]n3)cc2)cc1
InChIInChI=1S/C18H17N3O/c1-2-22-18-11-8-16(9-12-18)15-6-3-14(4-7-15)5-10-17-13-19-21-20-17/h3-13H,2H2,1H3,(H,19,20,21)/b10-5+
InChIKeyAOMKYFYWVNTAJQ-BJMVGYQFSA-N
XLogP4.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 176548106
4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 158018374
carbon dioxide;4-[4-[2-(2H-triazol-4-yl)ethenyl]phenyl]benzonitrile
CID 176537603
1-ethoxy-4-[4-(2-fluoroethenyl)phenyl]benzene
CID 67859123
4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole
CID 155653556
4-[(E)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]ethenyl]-2H-triazole
CID 155653503
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine
CID 142200300
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole?
The IUPAC name of 4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole (CID 155653551) is 4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole.
What is the SMILES notation for 4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole?
The canonical SMILES for 4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole is CCOc1ccc(-c2ccc(/C=C/c3cn[nH]n3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole?
The InChIKey is AOMKYFYWVNTAJQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-22-18-11-8-16(9-12-18)15-6-3-14(4-7-15)5-10-17-13-19-21-20-17/h3-13H,2H2,1H3,(H,19,20,21)/b10-5+.
What are the key properties of 4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole?
4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole has a molecular weight of 291.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole is sourced from PubChem (CID 155653551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).