2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine

C20H18I2N4O — CID 159049808

IUPAC2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine
SMILESCc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)c(C)c3)cc2)cc1.II
InChIInChI=1S/C20H18N4O.I2/c1-14-3-5-16(6-4-14)21-22-17-7-9-18(10-8-17)23-24-19-11-12-20(25)15(2)13-19;1-2/h3-13,25H,1-2H3;/b22-21+,24-23+;
InChIKeyJXCVBSPUUQENJZ-HQHRKKNHSA-N
MW584.20 g/mol
LogP8.61
Rot. Bonds4

About 2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine

2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine (PubChem CID 159049808) has the molecular formula C20H18I2N4O and a molecular weight of 584.20 g/mol. Its IUPAC name is 2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine.

Molecular Properties

Compound Name2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine
PubChem CID159049808
Molecular FormulaC20H18I2N4O
Molecular Weight584.20 g/mol
Exact Mass583.96
IUPAC Name2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine
SMILESCc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)c(C)c3)cc2)cc1.II
InChIInChI=1S/C20H18N4O.I2/c1-14-3-5-16(6-4-14)21-22-17-7-9-18(10-8-17)23-24-19-11-12-20(25)15(2)13-19;1-2/h3-13,25H,1-2H3;/b22-21+,24-23+;
InChIKeyJXCVBSPUUQENJZ-HQHRKKNHSA-N
XLogP8.61
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.20
LogP ≤ 58.61
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol
CID 136913309
4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol
CID 163811607
2-(hydroxymethyl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136794284
bis(4-methylphenyl)diazene
CID 10389
4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
CID 136901382
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
2,4-dimethylphenol
CID 67713801
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
CID 175892141
CID 175892141
2,4-dimethylphenol;yttrium
CID 87733318
CID 172763014
CID 172763014
1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol
CID 136671063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine?
The IUPAC name of 2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine (CID 159049808) is 2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine.
What is the SMILES notation for 2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine?
The canonical SMILES for 2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine is Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)c(C)c3)cc2)cc1.II.
What is the InChIKey of 2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine?
The InChIKey is JXCVBSPUUQENJZ-HQHRKKNHSA-N. The full InChI is InChI=1S/C20H18N4O.I2/c1-14-3-5-16(6-4-14)21-22-17-7-9-18(10-8-17)23-24-19-11-12-20(25)15(2)13-19;1-2/h3-13,25H,1-2H3;/b22-21+,24-23+;.
What are the key properties of 2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine?
2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine has a molecular weight of 584.20 g/mol, XLogP of 8.61, 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-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine is sourced from PubChem (CID 159049808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).