2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol

C12H10N2O6 — CID 159009419

IUPAC2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(/N=N/c2c(O)cc(O)cc2O)c(O)c1
InChIInChI=1S/C12H10N2O6/c15-5-1-7(17)11(8(18)2-5)13-14-12-9(19)3-6(16)4-10(12)20/h1-4,15-20H/b14-13+
InChIKeyBANPNGUMLJQQEF-BUHFOSPRSA-N
MW278.22 g/mol
LogP2.34
Rot. Bonds2

About 2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol

2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol (PubChem CID 159009419) has the molecular formula C12H10N2O6 and a molecular weight of 278.22 g/mol. Its IUPAC name is 2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol
PubChem CID159009419
Molecular FormulaC12H10N2O6
Molecular Weight278.22 g/mol
Exact Mass278.05
IUPAC Name2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(/N=N/c2c(O)cc(O)cc2O)c(O)c1
InChIInChI=1S/C12H10N2O6/c15-5-1-7(17)11(8(18)2-5)13-14-12-9(19)3-6(16)4-10(12)20/h1-4,15-20H/b14-13+
InChIKeyBANPNGUMLJQQEF-BUHFOSPRSA-N
XLogP2.34
TPSA146.10 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.22
LogP ≤ 52.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol?
The IUPAC name of 2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol (CID 159009419) is 2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol.
What is the SMILES notation for 2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol?
The canonical SMILES for 2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol is Oc1cc(O)c(/N=N/c2c(O)cc(O)cc2O)c(O)c1.
What is the InChIKey of 2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol?
The InChIKey is BANPNGUMLJQQEF-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H10N2O6/c15-5-1-7(17)11(8(18)2-5)13-14-12-9(19)3-6(16)4-10(12)20/h1-4,15-20H/b14-13+.
What are the key properties of 2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol?
2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol has a molecular weight of 278.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol is sourced from PubChem (CID 159009419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).