4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol

C24H26N4O2 — CID 578100

IUPAC4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1/N=N/c1ccc(/N=N/c2c(C)cc(O)cc2C)c(C)c1C
InChIInChI=1S/C24H26N4O2/c1-13-9-19(29)10-14(2)23(13)27-25-21-7-8-22(18(6)17(21)5)26-28-24-15(3)11-20(30)12-16(24)4/h7-12,29-30H,1-6H3/b27-25+,28-26+
InChIKeyGZCZBJOKMJUBJM-NBHCHVEOSA-N
MW402.50 g/mol
LogP7.78
Rot. Bonds4

About 4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol

4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol (PubChem CID 578100) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol
PubChem CID578100
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1/N=N/c1ccc(/N=N/c2c(C)cc(O)cc2C)c(C)c1C
InChIInChI=1S/C24H26N4O2/c1-13-9-19(29)10-14(2)23(13)27-25-21-7-8-22(18(6)17(21)5)26-28-24-15(3)11-20(30)12-16(24)4/h7-12,29-30H,1-6H3/b27-25+,28-26+
InChIKeyGZCZBJOKMJUBJM-NBHCHVEOSA-N
XLogP7.78
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol?
The IUPAC name of 4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol (CID 578100) is 4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol is Cc1cc(O)cc(C)c1/N=N/c1ccc(/N=N/c2c(C)cc(O)cc2C)c(C)c1C.
What is the InChIKey of 4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol?
The InChIKey is GZCZBJOKMJUBJM-NBHCHVEOSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-13-9-19(29)10-14(2)23(13)27-25-21-7-8-22(18(6)17(21)5)26-28-24-15(3)11-20(30)12-16(24)4/h7-12,29-30H,1-6H3/b27-25+,28-26+.
What are the key properties of 4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol?
4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol has a molecular weight of 402.50 g/mol, XLogP of 7.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-hydroxy-2,6-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-3,5-dimethylphenol is sourced from PubChem (CID 578100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).