(4-phenyldiazenylphenyl)methanediol

C13H12N2O2 — CID 88611351

IUPAC(4-phenyldiazenylphenyl)methanediol
SMILESOC(O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H12N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9,13,16-17H/b15-14+
InChIKeyHFDRBULZFQCDJH-CCEZHUSRSA-N
MW228.25 g/mol
LogP3.09
Rot. Bonds3

About (4-phenyldiazenylphenyl)methanediol

(4-phenyldiazenylphenyl)methanediol (PubChem CID 88611351) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (4-phenyldiazenylphenyl)methanediol.

Molecular Properties

Compound Name(4-phenyldiazenylphenyl)methanediol
PubChem CID88611351
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(4-phenyldiazenylphenyl)methanediol
SMILESOC(O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H12N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9,13,16-17H/b15-14+
InChIKeyHFDRBULZFQCDJH-CCEZHUSRSA-N
XLogP3.09
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.09
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-phenyldiazenylphenyl)methanediol?
The IUPAC name of (4-phenyldiazenylphenyl)methanediol (CID 88611351) is (4-phenyldiazenylphenyl)methanediol.
What is the SMILES notation for (4-phenyldiazenylphenyl)methanediol?
The canonical SMILES for (4-phenyldiazenylphenyl)methanediol is OC(O)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (4-phenyldiazenylphenyl)methanediol?
The InChIKey is HFDRBULZFQCDJH-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9,13,16-17H/b15-14+.
What are the key properties of (4-phenyldiazenylphenyl)methanediol?
(4-phenyldiazenylphenyl)methanediol has a molecular weight of 228.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyldiazenylphenyl)methanediol is sourced from PubChem (CID 88611351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).