4-phenyldiazenylbenzene-1,3-diol

C12H10N2O2 — CID 16325

IUPAC4-phenyldiazenylbenzene-1,3-diol
SMILESOc1ccc(/N=N/c2ccccc2)c(O)c1
InChIInChI=1S/C12H10N2O2/c15-10-6-7-11(12(16)8-10)14-13-9-4-2-1-3-5-9/h1-8,15-16H/b14-13+
InChIKeyBPTKLSBRRJFNHJ-BUHFOSPRSA-N
MW214.22 g/mol
LogP3.51
Rot. Bonds2

About 4-phenyldiazenylbenzene-1,3-diol

4-phenyldiazenylbenzene-1,3-diol (PubChem CID 16325) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-phenyldiazenylbenzene-1,3-diol.

Molecular Properties

Compound Name4-phenyldiazenylbenzene-1,3-diol
PubChem CID16325
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-phenyldiazenylbenzene-1,3-diol
SMILESOc1ccc(/N=N/c2ccccc2)c(O)c1
InChIInChI=1S/C12H10N2O2/c15-10-6-7-11(12(16)8-10)14-13-9-4-2-1-3-5-9/h1-8,15-16H/b14-13+
InChIKeyBPTKLSBRRJFNHJ-BUHFOSPRSA-N
XLogP3.51
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-phenyldiazenylbenzene-1,3-diol?
The IUPAC name of 4-phenyldiazenylbenzene-1,3-diol (CID 16325) is 4-phenyldiazenylbenzene-1,3-diol.
What is the SMILES notation for 4-phenyldiazenylbenzene-1,3-diol?
The canonical SMILES for 4-phenyldiazenylbenzene-1,3-diol is Oc1ccc(/N=N/c2ccccc2)c(O)c1.
What is the InChIKey of 4-phenyldiazenylbenzene-1,3-diol?
The InChIKey is BPTKLSBRRJFNHJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-10-6-7-11(12(16)8-10)14-13-9-4-2-1-3-5-9/h1-8,15-16H/b14-13+.
What are the key properties of 4-phenyldiazenylbenzene-1,3-diol?
4-phenyldiazenylbenzene-1,3-diol has a molecular weight of 214.22 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldiazenylbenzene-1,3-diol is sourced from PubChem (CID 16325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).