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

C12H10N2O3 — CID 135469322

IUPAC4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol
SMILESOc1ccc(/N=N/c2ccc(O)cc2O)cc1
InChIInChI=1S/C12H10N2O3/c15-9-3-1-8(2-4-9)13-14-11-6-5-10(16)7-12(11)17/h1-7,15-17H/b14-13+
InChIKeyGRIWQSXMCRBQMQ-BUHFOSPRSA-N
MW230.22 g/mol
LogP3.22
Rot. Bonds2

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

4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol (PubChem CID 135469322) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol
PubChem CID135469322
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol
SMILESOc1ccc(/N=N/c2ccc(O)cc2O)cc1
InChIInChI=1S/C12H10N2O3/c15-9-3-1-8(2-4-9)13-14-11-6-5-10(16)7-12(11)17/h1-7,15-17H/b14-13+
InChIKeyGRIWQSXMCRBQMQ-BUHFOSPRSA-N
XLogP3.22
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol?
The IUPAC name of 4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol (CID 135469322) is 4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol?
The canonical SMILES for 4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol is Oc1ccc(/N=N/c2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol?
The InChIKey is GRIWQSXMCRBQMQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-9-3-1-8(2-4-9)13-14-11-6-5-10(16)7-12(11)17/h1-7,15-17H/b14-13+.
What are the key properties of 4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol?
4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol has a molecular weight of 230.22 g/mol, XLogP of 3.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol is sourced from PubChem (CID 135469322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).