2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole

C18H14ClN3O2 — CID 168527100

IUPAC2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole
SMILESCOc1ccc(-n2nc3cc(C)c(-c4ccco4)cc3n2)cc1Cl
InChIInChI=1S/C18H14ClN3O2/c1-11-8-15-16(10-13(11)17-4-3-7-24-17)21-22(20-15)12-5-6-18(23-2)14(19)9-12/h3-10H,1-2H3
InChIKeyXYVGVCZVVDGHEJ-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.65
Rot. Bonds3

About 2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole

2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole (PubChem CID 168527100) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole
PubChem CID168527100
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole
SMILESCOc1ccc(-n2nc3cc(C)c(-c4ccco4)cc3n2)cc1Cl
InChIInChI=1S/C18H14ClN3O2/c1-11-8-15-16(10-13(11)17-4-3-7-24-17)21-22(20-15)12-5-6-18(23-2)14(19)9-12/h3-10H,1-2H3
InChIKeyXYVGVCZVVDGHEJ-UHFFFAOYSA-N
XLogP4.65
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole
CID 168525214
2-(4-Fluorophenyl)-5-(furan-2-yl)benzotriazole
CID 168526484
5-[2-(4-Fluorophenyl)-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde
CID 169332553
2-(2-Methylprop-2-enoyloxy)ethyl 2-(3-chloro-5-methoxy-4-octoxyphenyl)benzotriazole-5-carboxylate
CID 140254603
Methyl 2-(3-chloro-5-methoxy-4-octoxyphenyl)benzotriazole-5-carboxylate
CID 152439040
Methyl 3-[2-(2-chlorophenoxy)ethoxy]benzotriazole-5-carboxylate
CID 7706197
5-(Furan-2-yl)-2-methylbenzotriazole
CID 168525544
2-(3-Chloro-4-methylphenyl)-5-(furan-2-yl)benzotriazole
CID 168525876
2-(4-Chlorophenyl)-5-(furan-2-yl)benzotriazole
CID 168526077
5-(Furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole
CID 168526079
2-(3-Chloro-4-methoxyphenyl)-5-(furan-2-yl)benzotriazole
CID 168526446
5-(Furan-2-yl)-2-(4-methoxyphenyl)-6-methylbenzotriazole
CID 168526534

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole (CID 168527100) is 2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole is COc1ccc(-n2nc3cc(C)c(-c4ccco4)cc3n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
The InChIKey is XYVGVCZVVDGHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-11-8-15-16(10-13(11)17-4-3-7-24-17)21-22(20-15)12-5-6-18(23-2)14(19)9-12/h3-10H,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole has a molecular weight of 339.78 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-6-methylbenzotriazole is sourced from PubChem (CID 168527100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).