5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole

C19H19N3O2 — CID 58066497

IUPAC5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole
SMILESCOc1cc(-n2nncc2-c2ccc3c(c2)OCC3)cc(C)c1C
InChIInChI=1S/C19H19N3O2/c1-12-8-16(10-18(23-3)13(12)2)22-17(11-20-21-22)15-5-4-14-6-7-24-19(14)9-15/h4-5,8-11H,6-7H2,1-3H3
InChIKeyCYWXGGYNQAUJBP-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.49
Rot. Bonds3

About 5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole

5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole (PubChem CID 58066497) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole
PubChem CID58066497
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole
SMILESCOc1cc(-n2nncc2-c2ccc3c(c2)OCC3)cc(C)c1C
InChIInChI=1S/C19H19N3O2/c1-12-8-16(10-18(23-3)13(12)2)22-17(11-20-21-22)15-5-4-14-6-7-24-19(14)9-15/h4-5,8-11H,6-7H2,1-3H3
InChIKeyCYWXGGYNQAUJBP-UHFFFAOYSA-N
XLogP3.49
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole (CID 58066497) is 5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole is COc1cc(-n2nncc2-c2ccc3c(c2)OCC3)cc(C)c1C.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole?
The InChIKey is CYWXGGYNQAUJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-8-16(10-18(23-3)13(12)2)22-17(11-20-21-22)15-5-4-14-6-7-24-19(14)9-15/h4-5,8-11H,6-7H2,1-3H3.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole?
5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole has a molecular weight of 321.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-6-yl)-1-(3-methoxy-4,5-dimethylphenyl)triazole is sourced from PubChem (CID 58066497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).