2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole

C19H17N3O — CID 168527101

IUPAC2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole
SMILESCCc1ccc(-n2nc3cc(C)c(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C19H17N3O/c1-3-14-6-8-15(9-7-14)22-20-17-11-13(2)16(12-18(17)21-22)19-5-4-10-23-19/h4-12H,3H2,1-2H3
InChIKeyBRJZOKMTYCTBJL-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.55
Rot. Bonds3

About 2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole

2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole (PubChem CID 168527101) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole
PubChem CID168527101
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole
SMILESCCc1ccc(-n2nc3cc(C)c(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C19H17N3O/c1-3-14-6-8-15(9-7-14)22-20-17-11-13(2)16(12-18(17)21-22)19-5-4-10-23-19/h4-12H,3H2,1-2H3
InChIKeyBRJZOKMTYCTBJL-UHFFFAOYSA-N
XLogP4.55
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine
CID 783935
2-(4-butyl-2-methylphenyl)furan
CID 168524679
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1329870
ethane;5-ethyl-2-(furan-2-yl)phenol
CID 145395239
N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 17220508
4-ethyl-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17018365
6-ethyl-4-(furan-2-yl)-2,3-dimethylpyridine
CID 608303
N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methylbenzamide
CID 22779110
2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983
2-(4-ethylphenyl)-5-isocyanatobenzotriazole
CID 169354537
3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17027188
ethane;2-(2-methylphenyl)furan
CID 142082580

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
The IUPAC name of 2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole (CID 168527101) is 2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole.
What is the SMILES notation for 2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
The canonical SMILES for 2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole is CCc1ccc(-n2nc3cc(C)c(-c4ccco4)cc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
The InChIKey is BRJZOKMTYCTBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-3-14-6-8-15(9-7-14)22-20-17-11-13(2)16(12-18(17)21-22)19-5-4-10-23-19/h4-12H,3H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole?
2-(4-ethylphenyl)-5-(furan-2-yl)-6-methylbenzotriazole has a molecular weight of 303.37 g/mol, XLogP of 4.55, 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)-6-methylbenzotriazole is sourced from PubChem (CID 168527101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).