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

C18H15N3O2 — CID 168527178

IUPAC2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole
SMILESCCOc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C18H15N3O2/c1-2-22-15-8-6-14(7-9-15)21-19-16-10-5-13(12-17(16)20-21)18-4-3-11-23-18/h3-12H,2H2,1H3
InChIKeyOLYNCZVJNYIEQY-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.08
Rot. Bonds4

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

2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole (PubChem CID 168527178) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole
PubChem CID168527178
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole
SMILESCCOc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C18H15N3O2/c1-2-22-15-8-6-14(7-9-15)21-19-16-10-5-13(12-17(16)20-21)18-4-3-11-23-18/h3-12H,2H2,1H3
InChIKeyOLYNCZVJNYIEQY-UHFFFAOYSA-N
XLogP4.08
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole?
The IUPAC name of 2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole (CID 168527178) is 2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole is CCOc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole?
The InChIKey is OLYNCZVJNYIEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-22-15-8-6-14(7-9-15)21-19-16-10-5-13(12-17(16)20-21)18-4-3-11-23-18/h3-12H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole?
2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole has a molecular weight of 305.34 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-(furan-2-yl)benzotriazole is sourced from PubChem (CID 168527178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).