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

C18H15N3O — CID 168527267

IUPAC2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole
SMILESCCc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C18H15N3O/c1-2-13-5-8-15(9-6-13)21-19-16-10-7-14(12-17(16)20-21)18-4-3-11-22-18/h3-12H,2H2,1H3
InChIKeySKSPXHOCYSIDIM-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.24
Rot. Bonds3

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

2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole (PubChem CID 168527267) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole
PubChem CID168527267
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole
SMILESCCc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C18H15N3O/c1-2-13-5-8-15(9-6-13)21-19-16-10-7-14(12-17(16)20-21)18-4-3-11-22-18/h3-12H,2H2,1H3
InChIKeySKSPXHOCYSIDIM-UHFFFAOYSA-N
XLogP4.24
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxyphenyl 2,1,3-benzothiadiazole-5-carboxylate
CID 753016
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-(2H-benzotriazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
CID 68664428
Benzotriazolylmethylfuran
CID 129781672
3-Benzotriazolyl-4-benzoyl-2-phenylfuran
CID 129859999
4,7-Bis(furan-2-yl)-2-hexylbenzotriazole
CID 139260616
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
2-(4-Fluorophenyl)-5-(furan-2-yl)benzotriazole
CID 168526484
2-[3-(Furan-2-yl)-5-(2,2,2-trifluoroethoxy)phenyl]benzotriazole
CID 168526986

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole?
The IUPAC name of 2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole (CID 168527267) is 2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole.
What is the SMILES notation for 2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole?
The canonical SMILES for 2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole is CCc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole?
The InChIKey is SKSPXHOCYSIDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-2-13-5-8-15(9-6-13)21-19-16-10-7-14(12-17(16)20-21)18-4-3-11-22-18/h3-12H,2H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole?
2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole has a molecular weight of 289.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-(furan-2-yl)benzotriazole is sourced from PubChem (CID 168527267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).