4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol

C12H10N2O4 — CID 136502279

IUPAC4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol
SMILESOc1ccc(/N=N/c2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C12H10N2O4/c15-7-1-3-9(11(17)5-7)13-14-10-4-2-8(16)6-12(10)18/h1-6,15-18H/b14-13+
InChIKeyVGAKRTYIMTWFLK-BUHFOSPRSA-N
MW246.22 g/mol
LogP2.92
Rot. Bonds2

About 4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol

4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol (PubChem CID 136502279) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol
PubChem CID136502279
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol
SMILESOc1ccc(/N=N/c2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C12H10N2O4/c15-7-1-3-9(11(17)5-7)13-14-10-4-2-8(16)6-12(10)18/h1-6,15-18H/b14-13+
InChIKeyVGAKRTYIMTWFLK-BUHFOSPRSA-N
XLogP2.92
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol?
The IUPAC name of 4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol (CID 136502279) is 4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol?
The canonical SMILES for 4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol is Oc1ccc(/N=N/c2ccc(O)cc2O)c(O)c1.
What is the InChIKey of 4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol?
The InChIKey is VGAKRTYIMTWFLK-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-7-1-3-9(11(17)5-7)13-14-10-4-2-8(16)6-12(10)18/h1-6,15-18H/b14-13+.
What are the key properties of 4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol?
4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol has a molecular weight of 246.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dihydroxyphenyl)diazenyl]benzene-1,3-diol is sourced from PubChem (CID 136502279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).