5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol

C18H19N3O6 — CID 71218503

IUPAC5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol
SMILESCOc1cc(-c2cnnn2-c2cc(O)cc(OC)c2OC)cc(O)c1OC
InChIInChI=1S/C18H19N3O6/c1-24-15-6-10(5-14(23)18(15)27-4)13-9-19-20-21(13)12-7-11(22)8-16(25-2)17(12)26-3/h5-9,22-23H,1-4H3
InChIKeyHFGRXSNLETXRCB-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.38
Rot. Bonds6

About 5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol

5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol (PubChem CID 71218503) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is 5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol.

Molecular Properties

Compound Name5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol
PubChem CID71218503
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol
SMILESCOc1cc(-c2cnnn2-c2cc(O)cc(OC)c2OC)cc(O)c1OC
InChIInChI=1S/C18H19N3O6/c1-24-15-6-10(5-14(23)18(15)27-4)13-9-19-20-21(13)12-7-11(22)8-16(25-2)17(12)26-3/h5-9,22-23H,1-4H3
InChIKeyHFGRXSNLETXRCB-UHFFFAOYSA-N
XLogP2.38
TPSA108.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol?
The IUPAC name of 5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol (CID 71218503) is 5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol.
What is the SMILES notation for 5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol?
The canonical SMILES for 5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol is COc1cc(-c2cnnn2-c2cc(O)cc(OC)c2OC)cc(O)c1OC.
What is the InChIKey of 5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol?
The InChIKey is HFGRXSNLETXRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-24-15-6-10(5-14(23)18(15)27-4)13-9-19-20-21(13)12-7-11(22)8-16(25-2)17(12)26-3/h5-9,22-23H,1-4H3.
What are the key properties of 5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol?
5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol has a molecular weight of 373.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol is sourced from PubChem (CID 71218503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).