carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole

C19H13N3O3 — CID 176530149

IUPACcarbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole
SMILESO=C=O.c1ccc2cc(-c3ccc(Oc4cn[nH]n4)cc3)ccc2c1
InChIInChI=1S/C18H13N3O.CO2/c1-2-4-15-11-16(6-5-13(15)3-1)14-7-9-17(10-8-14)22-18-12-19-21-20-18;2-1-3/h1-12H,(H,19,20,21);
InChIKeyMENOTVBDZRLBHF-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.83
Rot. Bonds3

About carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole

carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole (PubChem CID 176530149) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole.

Molecular Properties

Compound Namecarbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole
PubChem CID176530149
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Namecarbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole
SMILESO=C=O.c1ccc2cc(-c3ccc(Oc4cn[nH]n4)cc3)ccc2c1
InChIInChI=1S/C18H13N3O.CO2/c1-2-4-15-11-16(6-5-13(15)3-1)14-7-9-17(10-8-14)22-18-12-19-21-20-18;2-1-3/h1-12H,(H,19,20,21);
InChIKeyMENOTVBDZRLBHF-UHFFFAOYSA-N
XLogP3.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

carbon dioxide;4-(3-phenylphenoxy)-2H-triazole
CID 176545249
carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide
CID 176545527
4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole
CID 160789588
4-[4-(4-fluoro-3-methylphenyl)phenoxy]-2H-triazole
CID 162002409
4-[3-(4-chlorophenyl)phenoxy]-2H-triazole
CID 155653430
carbon dioxide;4-(3-chloro-4-fluorophenoxy)-2H-triazole
CID 176532110
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
2-naphthalen-2-yl-6-(4-naphthalen-1-yloxyphenyl)naphthalene
CID 71004721
carbon dioxide;4-[[4-(4-methylphenyl)phenyl]methoxy]-2H-triazole
CID 176536935
benzo[f]azulene
CID 13065869
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole?
The IUPAC name of carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole (CID 176530149) is carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole.
What is the SMILES notation for carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole?
The canonical SMILES for carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole is O=C=O.c1ccc2cc(-c3ccc(Oc4cn[nH]n4)cc3)ccc2c1.
What is the InChIKey of carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole?
The InChIKey is MENOTVBDZRLBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O.CO2/c1-2-4-15-11-16(6-5-13(15)3-1)14-7-9-17(10-8-14)22-18-12-19-21-20-18;2-1-3/h1-12H,(H,19,20,21);.
What are the key properties of carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole?
carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole has a molecular weight of 331.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole is sourced from PubChem (CID 176530149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).