bis(phenyldiazenyl)methanediol

C13H12N4O2 — CID 67830201

IUPACbis(phenyldiazenyl)methanediol
SMILESOC(O)(/N=N/c1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C13H12N4O2/c18-13(19,16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,18-19H/b16-14+,17-15+
InChIKeyPLNGRNRTAMIIGK-YXLFCKQPSA-N
MW256.27 g/mol
LogP3.15
Rot. Bonds4

About bis(phenyldiazenyl)methanediol

bis(phenyldiazenyl)methanediol (PubChem CID 67830201) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is bis(phenyldiazenyl)methanediol.

Molecular Properties

Compound Namebis(phenyldiazenyl)methanediol
PubChem CID67830201
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Namebis(phenyldiazenyl)methanediol
SMILESOC(O)(/N=N/c1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C13H12N4O2/c18-13(19,16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,18-19H/b16-14+,17-15+
InChIKeyPLNGRNRTAMIIGK-YXLFCKQPSA-N
XLogP3.15
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(phenyldiazenyl)methanediol?
The IUPAC name of bis(phenyldiazenyl)methanediol (CID 67830201) is bis(phenyldiazenyl)methanediol.
What is the SMILES notation for bis(phenyldiazenyl)methanediol?
The canonical SMILES for bis(phenyldiazenyl)methanediol is OC(O)(/N=N/c1ccccc1)/N=N/c1ccccc1.
What is the InChIKey of bis(phenyldiazenyl)methanediol?
The InChIKey is PLNGRNRTAMIIGK-YXLFCKQPSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-13(19,16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,18-19H/b16-14+,17-15+.
What are the key properties of bis(phenyldiazenyl)methanediol?
bis(phenyldiazenyl)methanediol has a molecular weight of 256.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenyldiazenyl)methanediol is sourced from PubChem (CID 67830201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).