5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole

C18H15N3O — CID 168526079

IUPAC5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole
SMILESCc1ccc(-n2nc3cc(C)c(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C18H15N3O/c1-12-5-7-14(8-6-12)21-19-16-10-13(2)15(11-17(16)20-21)18-4-3-9-22-18/h3-11H,1-2H3
InChIKeyOTQDSXPOEWWXEQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.30
Rot. Bonds2

About 5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole

5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole (PubChem CID 168526079) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole.

Molecular Properties

Compound Name5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole
PubChem CID168526079
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole
SMILESCc1ccc(-n2nc3cc(C)c(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C18H15N3O/c1-12-5-7-14(8-6-12)21-19-16-10-13(2)15(11-17(16)20-21)18-4-3-9-22-18/h3-11H,1-2H3
InChIKeyOTQDSXPOEWWXEQ-UHFFFAOYSA-N
XLogP4.30
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9a-butyl-6-furan-2-yl-8,9,9a,10-tetrahydro-3H-1,2,3-triaza-cyclopenta[a]fluoren-7-one
CID 9946229
2-(2,1,3-Benzothiadiazol-5-yl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 2815748
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
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
5-[3-(Benzotriazol-2-yl)-5-(2,2,2-trifluoroethoxy)phenyl]furan-2-carbaldehyde
CID 169334340

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole?
The IUPAC name of 5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole (CID 168526079) is 5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole.
What is the SMILES notation for 5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole?
The canonical SMILES for 5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole is Cc1ccc(-n2nc3cc(C)c(-c4ccco4)cc3n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole?
The InChIKey is OTQDSXPOEWWXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-12-5-7-14(8-6-12)21-19-16-10-13(2)15(11-17(16)20-21)18-4-3-9-22-18/h3-11H,1-2H3.
What are the key properties of 5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole?
5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole has a molecular weight of 289.34 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-6-methyl-2-(4-methylphenyl)benzotriazole is sourced from PubChem (CID 168526079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).