3-phenyldiazenylphenol

C12H10N2O — CID 15723297

IUPAC3-phenyldiazenylphenol
SMILESOc1cccc(/N=N/c2ccccc2)c1
InChIInChI=1S/C12H10N2O/c15-12-8-4-7-11(9-12)14-13-10-5-2-1-3-6-10/h1-9,15H/b14-13+
InChIKeyJJDKCHBQWVTFBN-BUHFOSPRSA-N
MW198.22 g/mol
LogP3.81
Rot. Bonds2

About 3-phenyldiazenylphenol

3-phenyldiazenylphenol (PubChem CID 15723297) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-phenyldiazenylphenol.

Molecular Properties

Compound Name3-phenyldiazenylphenol
PubChem CID15723297
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name3-phenyldiazenylphenol
SMILESOc1cccc(/N=N/c2ccccc2)c1
InChIInChI=1S/C12H10N2O/c15-12-8-4-7-11(9-12)14-13-10-5-2-1-3-6-10/h1-9,15H/b14-13+
InChIKeyJJDKCHBQWVTFBN-BUHFOSPRSA-N
XLogP3.81
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-phenyldiazenylphenol?
The IUPAC name of 3-phenyldiazenylphenol (CID 15723297) is 3-phenyldiazenylphenol.
What is the SMILES notation for 3-phenyldiazenylphenol?
The canonical SMILES for 3-phenyldiazenylphenol is Oc1cccc(/N=N/c2ccccc2)c1.
What is the InChIKey of 3-phenyldiazenylphenol?
The InChIKey is JJDKCHBQWVTFBN-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H10N2O/c15-12-8-4-7-11(9-12)14-13-10-5-2-1-3-6-10/h1-9,15H/b14-13+.
What are the key properties of 3-phenyldiazenylphenol?
3-phenyldiazenylphenol has a molecular weight of 198.22 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyldiazenylphenol is sourced from PubChem (CID 15723297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).