carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole

C19H17N3O3 — CID 176548106

IUPACcarbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
SMILESCCOc1ccc(-c2ccc(C=Cc3cn[nH]n3)cc2)cc1.O=C=O
InChIInChI=1S/C18H17N3O.CO2/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;2-1-3/h3-13H,2H2,1H3,(H,19,20,21);
InChIKeyGQXQAFWFEPSBSN-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.46
Rot. Bonds5

About carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole

carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole (PubChem CID 176548106) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole.

Molecular Properties

Compound Namecarbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
PubChem CID176548106
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Namecarbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
SMILESCCOc1ccc(-c2ccc(C=Cc3cn[nH]n3)cc2)cc1.O=C=O
InChIInChI=1S/C18H17N3O.CO2/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;2-1-3/h3-13H,2H2,1H3,(H,19,20,21);
InChIKeyGQXQAFWFEPSBSN-UHFFFAOYSA-N
XLogP3.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 155653551
4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 158018374
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
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole?
The IUPAC name of carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole (CID 176548106) is carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole.
What is the SMILES notation for carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole?
The canonical SMILES for carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole is CCOc1ccc(-c2ccc(C=Cc3cn[nH]n3)cc2)cc1.O=C=O.
What is the InChIKey of carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole?
The InChIKey is GQXQAFWFEPSBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O.CO2/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;2-1-3/h3-13H,2H2,1H3,(H,19,20,21);.
What are the key properties of carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole?
carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole has a molecular weight of 335.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-[2-[4-(4-ethoxyphenyl)phenyl]ethenyl]-2H-triazole is sourced from PubChem (CID 176548106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).