5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol

C16H15N3O4 — CID 11659636

IUPAC5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2cn(-c3ccc(OC)c(O)c3)nn2)cc1O
InChIInChI=1S/C16H15N3O4/c1-22-15-5-3-10(7-13(15)20)12-9-19(18-17-12)11-4-6-16(23-2)14(21)8-11/h3-9,20-21H,1-2H3
InChIKeyQVCNVCHXCZOSSA-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.36
Rot. Bonds4

About 5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol

5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol (PubChem CID 11659636) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol
PubChem CID11659636
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2cn(-c3ccc(OC)c(O)c3)nn2)cc1O
InChIInChI=1S/C16H15N3O4/c1-22-15-5-3-10(7-13(15)20)12-9-19(18-17-12)11-4-6-16(23-2)14(21)8-11/h3-9,20-21H,1-2H3
InChIKeyQVCNVCHXCZOSSA-UHFFFAOYSA-N
XLogP2.36
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol?
The IUPAC name of 5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol (CID 11659636) is 5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol?
The canonical SMILES for 5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol is COc1ccc(-c2cn(-c3ccc(OC)c(O)c3)nn2)cc1O.
What is the InChIKey of 5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol?
The InChIKey is QVCNVCHXCZOSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-22-15-5-3-10(7-13(15)20)12-9-19(18-17-12)11-4-6-16(23-2)14(21)8-11/h3-9,20-21H,1-2H3.
What are the key properties of 5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol?
5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol has a molecular weight of 313.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-hydroxy-4-methoxyphenyl)triazol-4-yl]-2-methoxyphenol is sourced from PubChem (CID 11659636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).