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

C19H16N4O — CID 22736

IUPAC2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol
SMILESCc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)ccc1O
InChIInChI=1S/C19H16N4O/c1-14-13-18(11-12-19(14)24)23-22-17-9-7-16(8-10-17)21-20-15-5-3-2-4-6-15/h2-13,24H,1H3/b21-20+,23-22+
InChIKeyVGKYEIFFSOPYEW-RLJRJAJVSA-N
MW316.36 g/mol
LogP6.53
Rot. Bonds4

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

2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol (PubChem CID 22736) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol
PubChem CID22736
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol
SMILESCc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)ccc1O
InChIInChI=1S/C19H16N4O/c1-14-13-18(11-12-19(14)24)23-22-17-9-7-16(8-10-17)21-20-15-5-3-2-4-6-15/h2-13,24H,1H3/b21-20+,23-22+
InChIKeyVGKYEIFFSOPYEW-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 2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol?
The IUPAC name of 2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol (CID 22736) is 2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol.
What is the SMILES notation for 2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol?
The canonical SMILES for 2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol is Cc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)ccc1O.
What is the InChIKey of 2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol?
The InChIKey is VGKYEIFFSOPYEW-RLJRJAJVSA-N. The full InChI is InChI=1S/C19H16N4O/c1-14-13-18(11-12-19(14)24)23-22-17-9-7-16(8-10-17)21-20-15-5-3-2-4-6-15/h2-13,24H,1H3/b21-20+,23-22+.
What are the key properties of 2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol?
2-methyl-4-[(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 2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol is sourced from PubChem (CID 22736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).