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

C16H10ClN3O — CID 168526077

IUPAC2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole
SMILESClc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C16H10ClN3O/c17-12-4-6-13(7-5-12)20-18-14-8-3-11(10-15(14)19-20)16-2-1-9-21-16/h1-10H
InChIKeyQMVBWLDIHIFYCX-UHFFFAOYSA-N
MW295.73 g/mol
LogP4.33
Rot. Bonds2

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

2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole (PubChem CID 168526077) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole
PubChem CID168526077
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole
SMILESClc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C16H10ClN3O/c17-12-4-6-13(7-5-12)20-18-14-8-3-11(10-15(14)19-20)16-2-1-9-21-16/h1-10H
InChIKeyQMVBWLDIHIFYCX-UHFFFAOYSA-N
XLogP4.33
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzotriazolylmethylfuran
CID 129781672
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
5-[2-(4-Fluorophenyl)-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde
CID 169332553
5-[2-(4-Fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde
CID 169333830
1-Chloro-2,4-dimethylbenzene;formaldehyde;phenyl 2-methylbenzotriazole-5-carboxylate
CID 53658336
Methyl 2-(4-octoxyphenyl)benzotriazole-5-carboxylate
CID 140254588
Octyl 2-(4-octoxyphenyl)benzotriazole-5-carboxylate
CID 140318002
Butyl 2-(4-butoxyphenyl)benzotriazole-5-carboxylate
CID 140322209
5-(furan-2-yl)-2H-benzotriazole
CID 141456337
4-(1-benzofuran-3-yl)-2H-benzotriazole
CID 173067277

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole (CID 168526077) is 2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole is Clc1ccc(-n2nc3ccc(-c4ccco4)cc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole?
The InChIKey is QMVBWLDIHIFYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-12-4-6-13(7-5-12)20-18-14-8-3-11(10-15(14)19-20)16-2-1-9-21-16/h1-10H.
What are the key properties of 2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole?
2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole has a molecular weight of 295.73 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(furan-2-yl)benzotriazole is sourced from PubChem (CID 168526077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).