4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol

C19H16N4O — CID 3519903

IUPAC4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
SMILESCc1ccc(O)c(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c1
InChIInChI=1S/C19H16N4O/c1-14-7-12-19(24)18(13-14)23-22-17-10-8-16(9-11-17)21-20-15-5-3-2-4-6-15/h2-13,24H,1H3/b21-20+,23-22+
InChIKeyWJNRZOOKLGVYEJ-RLJRJAJVSA-N
MW316.36 g/mol
LogP6.53
Rot. Bonds4

About 4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol

4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol (PubChem CID 3519903) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
PubChem CID3519903
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
SMILESCc1ccc(O)c(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c1
InChIInChI=1S/C19H16N4O/c1-14-7-12-19(24)18(13-14)23-22-17-10-8-16(9-11-17)21-20-15-5-3-2-4-6-15/h2-13,24H,1H3/b21-20+,23-22+
InChIKeyWJNRZOOKLGVYEJ-RLJRJAJVSA-N
XLogP6.53
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-phenyldiazenylphenyl)diazenyl]phenol?
The IUPAC name of 4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol (CID 3519903) is 4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol.
What is the SMILES notation for 4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol?
The canonical SMILES for 4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol is Cc1ccc(O)c(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c1.
What is the InChIKey of 4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol?
The InChIKey is WJNRZOOKLGVYEJ-RLJRJAJVSA-N. The full InChI is InChI=1S/C19H16N4O/c1-14-7-12-19(24)18(13-14)23-22-17-10-8-16(9-11-17)21-20-15-5-3-2-4-6-15/h2-13,24H,1H3/b21-20+,23-22+.
What are the key properties of 4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol?
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol has a molecular weight of 316.36 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol is sourced from PubChem (CID 3519903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).