carbon dioxide;4-(3-phenylphenoxy)-2H-triazole

C15H11N3O3 — CID 176545249

IUPACcarbon dioxide;4-(3-phenylphenoxy)-2H-triazole
SMILESO=C=O.c1ccc(-c2cccc(Oc3cn[nH]n3)c2)cc1
InChIInChI=1S/C14H11N3O.CO2/c1-2-5-11(6-3-1)12-7-4-8-13(9-12)18-14-10-15-17-16-14;2-1-3/h1-10H,(H,15,16,17);
InChIKeyIIWIHNFDLBNFMU-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.68
Rot. Bonds3

About carbon dioxide;4-(3-phenylphenoxy)-2H-triazole

carbon dioxide;4-(3-phenylphenoxy)-2H-triazole (PubChem CID 176545249) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is carbon dioxide;4-(3-phenylphenoxy)-2H-triazole.

Molecular Properties

Compound Namecarbon dioxide;4-(3-phenylphenoxy)-2H-triazole
PubChem CID176545249
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Namecarbon dioxide;4-(3-phenylphenoxy)-2H-triazole
SMILESO=C=O.c1ccc(-c2cccc(Oc3cn[nH]n3)c2)cc1
InChIInChI=1S/C14H11N3O.CO2/c1-2-5-11(6-3-1)12-7-4-8-13(9-12)18-14-10-15-17-16-14;2-1-3/h1-10H,(H,15,16,17);
InChIKeyIIWIHNFDLBNFMU-UHFFFAOYSA-N
XLogP2.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-chlorophenyl)phenoxy]-2H-triazole
CID 155653430
carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole
CID 176530149
carbon dioxide;3-pyridin-3-yl-5-(2H-triazol-4-yloxy)pyridine
CID 176533652
carbon dioxide;1-[3-(2H-triazol-4-yloxy)phenyl]azepane
CID 176546409
carbon dioxide;4-(3-pentan-2-ylphenoxy)-2H-triazole
CID 176536037
carbon dioxide;4-(3-chloro-4-fluorophenoxy)-2H-triazole
CID 176532110
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole
CID 160789588
4-[4-(4-fluoro-3-methylphenyl)phenoxy]-2H-triazole
CID 162002409
carbon dioxide;4-[[4-(4-methylphenyl)phenyl]methoxy]-2H-triazole
CID 176536935
[3-(2H-triazol-4-yl)phenyl] dihydrogen phosphate
CID 143400180
2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157416880

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-(3-phenylphenoxy)-2H-triazole?
The IUPAC name of carbon dioxide;4-(3-phenylphenoxy)-2H-triazole (CID 176545249) is carbon dioxide;4-(3-phenylphenoxy)-2H-triazole.
What is the SMILES notation for carbon dioxide;4-(3-phenylphenoxy)-2H-triazole?
The canonical SMILES for carbon dioxide;4-(3-phenylphenoxy)-2H-triazole is O=C=O.c1ccc(-c2cccc(Oc3cn[nH]n3)c2)cc1.
What is the InChIKey of carbon dioxide;4-(3-phenylphenoxy)-2H-triazole?
The InChIKey is IIWIHNFDLBNFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O.CO2/c1-2-5-11(6-3-1)12-7-4-8-13(9-12)18-14-10-15-17-16-14;2-1-3/h1-10H,(H,15,16,17);.
What are the key properties of carbon dioxide;4-(3-phenylphenoxy)-2H-triazole?
carbon dioxide;4-(3-phenylphenoxy)-2H-triazole has a molecular weight of 281.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-(3-phenylphenoxy)-2H-triazole is sourced from PubChem (CID 176545249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).