4-methyl-2-phenyldiazenylphenol

C13H12N2O — CID 13719

IUPAC4-methyl-2-phenyldiazenylphenol
SMILESCc1ccc(O)c(/N=N/c2ccccc2)c1
InChIInChI=1S/C13H12N2O/c1-10-7-8-13(16)12(9-10)15-14-11-5-3-2-4-6-11/h2-9,16H,1H3/b15-14+
InChIKeyNJOXSODFMZIZJD-CCEZHUSRSA-N
MW212.25 g/mol
LogP4.12
Rot. Bonds2

About 4-methyl-2-phenyldiazenylphenol

4-methyl-2-phenyldiazenylphenol (PubChem CID 13719) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-methyl-2-phenyldiazenylphenol.

Molecular Properties

Compound Name4-methyl-2-phenyldiazenylphenol
PubChem CID13719
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-methyl-2-phenyldiazenylphenol
SMILESCc1ccc(O)c(/N=N/c2ccccc2)c1
InChIInChI=1S/C13H12N2O/c1-10-7-8-13(16)12(9-10)15-14-11-5-3-2-4-6-11/h2-9,16H,1H3/b15-14+
InChIKeyNJOXSODFMZIZJD-CCEZHUSRSA-N
XLogP4.12
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 54.12
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 4-methyl-2-phenyldiazenylphenol?
The IUPAC name of 4-methyl-2-phenyldiazenylphenol (CID 13719) is 4-methyl-2-phenyldiazenylphenol.
What is the SMILES notation for 4-methyl-2-phenyldiazenylphenol?
The canonical SMILES for 4-methyl-2-phenyldiazenylphenol is Cc1ccc(O)c(/N=N/c2ccccc2)c1.
What is the InChIKey of 4-methyl-2-phenyldiazenylphenol?
The InChIKey is NJOXSODFMZIZJD-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H12N2O/c1-10-7-8-13(16)12(9-10)15-14-11-5-3-2-4-6-11/h2-9,16H,1H3/b15-14+.
What are the key properties of 4-methyl-2-phenyldiazenylphenol?
4-methyl-2-phenyldiazenylphenol has a molecular weight of 212.25 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyldiazenylphenol is sourced from PubChem (CID 13719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).