5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol

C15H13N3O3 — CID 57399005

IUPAC5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol
SMILESOc1cccc(Cn2cc(-c3cc(O)cc(O)c3)nn2)c1
InChIInChI=1S/C15H13N3O3/c19-12-3-1-2-10(4-12)8-18-9-15(16-17-18)11-5-13(20)7-14(21)6-11/h1-7,9,19-21H,8H2
InChIKeyGEPSOXZLMYNAAS-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.11
Rot. Bonds3

About 5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol

5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol (PubChem CID 57399005) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol
PubChem CID57399005
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol
SMILESOc1cccc(Cn2cc(-c3cc(O)cc(O)c3)nn2)c1
InChIInChI=1S/C15H13N3O3/c19-12-3-1-2-10(4-12)8-18-9-15(16-17-18)11-5-13(20)7-14(21)6-11/h1-7,9,19-21H,8H2
InChIKeyGEPSOXZLMYNAAS-UHFFFAOYSA-N
XLogP2.11
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol?
The IUPAC name of 5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol (CID 57399005) is 5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol is Oc1cccc(Cn2cc(-c3cc(O)cc(O)c3)nn2)c1.
What is the InChIKey of 5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol?
The InChIKey is GEPSOXZLMYNAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-12-3-1-2-10(4-12)8-18-9-15(16-17-18)11-5-13(20)7-14(21)6-11/h1-7,9,19-21H,8H2.
What are the key properties of 5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol?
5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol has a molecular weight of 283.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol is sourced from PubChem (CID 57399005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).