5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole

C17H13N3O2 — CID 168527173

IUPAC5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole
SMILESCOc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C17H13N3O2/c1-21-14-7-5-13(6-8-14)20-18-15-9-4-12(11-16(15)19-20)17-3-2-10-22-17/h2-11H,1H3
InChIKeyNYOUZDIRQZIVTG-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.69
Rot. Bonds3

About 5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole

5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole (PubChem CID 168527173) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole.

Molecular Properties

Compound Name5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole
PubChem CID168527173
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole
SMILESCOc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C17H13N3O2/c1-21-14-7-5-13(6-8-14)20-18-15-9-4-12(11-16(15)19-20)17-3-2-10-22-17/h2-11H,1H3
InChIKeyNYOUZDIRQZIVTG-UHFFFAOYSA-N
XLogP3.69
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxyphenyl 2,1,3-benzothiadiazole-5-carboxylate
CID 753016
2H-1-Benzopyran-2-one, 7-(5-butoxy-6-methyl-2H-benzotriazol-2-yl)-3-phenyl-
CID 634637
Phenyl 2,1,3-benzothiadiazole-5-carboxylate
CID 798047
2-(2,1,3-Benzothiadiazol-5-yl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 2815748
2-(2,1,3-Benzothiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)-3-(furan-2-ylmethyl)-4-oxobut-2-enoic acid
CID 57270617
2-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
CID 68664428
Ethyl 1-(4-methoxyphenyl)benzotriazole-5-carboxylate
CID 101798136
Benzotriazolylmethylfuran
CID 129781672
3-Benzotriazolyl-4-benzoyl-2-phenylfuran
CID 129859999
Methyl 3-[2-(4-fluorophenoxy)ethoxy]benzotriazole-5-carboxylate
CID 7706201
Methyl 3-[2-(2-fluorophenoxy)ethoxy]benzotriazole-5-carboxylate
CID 17427101
2-(4-Fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole
CID 168525214

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole?
The IUPAC name of 5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole (CID 168527173) is 5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole.
What is the SMILES notation for 5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole?
The canonical SMILES for 5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole is COc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole?
The InChIKey is NYOUZDIRQZIVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-21-14-7-5-13(6-8-14)20-18-15-9-4-12(11-16(15)19-20)17-3-2-10-22-17/h2-11H,1H3.
What are the key properties of 5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole?
5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole has a molecular weight of 291.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-(4-methoxyphenyl)benzotriazole is sourced from PubChem (CID 168527173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).