2,4-ditert-butyl-6-phenyldiazenylphenol

C20H26N2O — CID 135409894

IUPAC2,4-ditert-butyl-6-phenyldiazenylphenol
SMILESCC(C)(C)c1cc(/N=N/c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H26N2O/c1-19(2,3)14-12-16(20(4,5)6)18(23)17(13-14)22-21-15-10-8-7-9-11-15/h7-13,23H,1-6H3/b22-21+
InChIKeyGHSOYKIZAGVIRO-QURGRASLSA-N
MW310.44 g/mol
LogP6.40
Rot. Bonds2

About 2,4-ditert-butyl-6-phenyldiazenylphenol

2,4-ditert-butyl-6-phenyldiazenylphenol (PubChem CID 135409894) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-phenyldiazenylphenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-phenyldiazenylphenol
PubChem CID135409894
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2,4-ditert-butyl-6-phenyldiazenylphenol
SMILESCC(C)(C)c1cc(/N=N/c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H26N2O/c1-19(2,3)14-12-16(20(4,5)6)18(23)17(13-14)22-21-15-10-8-7-9-11-15/h7-13,23H,1-6H3/b22-21+
InChIKeyGHSOYKIZAGVIRO-QURGRASLSA-N
XLogP6.40
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.40
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 2,4-ditert-butyl-6-phenyldiazenylphenol?
The IUPAC name of 2,4-ditert-butyl-6-phenyldiazenylphenol (CID 135409894) is 2,4-ditert-butyl-6-phenyldiazenylphenol.
What is the SMILES notation for 2,4-ditert-butyl-6-phenyldiazenylphenol?
The canonical SMILES for 2,4-ditert-butyl-6-phenyldiazenylphenol is CC(C)(C)c1cc(/N=N/c2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-phenyldiazenylphenol?
The InChIKey is GHSOYKIZAGVIRO-QURGRASLSA-N. The full InChI is InChI=1S/C20H26N2O/c1-19(2,3)14-12-16(20(4,5)6)18(23)17(13-14)22-21-15-10-8-7-9-11-15/h7-13,23H,1-6H3/b22-21+.
What are the key properties of 2,4-ditert-butyl-6-phenyldiazenylphenol?
2,4-ditert-butyl-6-phenyldiazenylphenol has a molecular weight of 310.44 g/mol, XLogP of 6.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-phenyldiazenylphenol is sourced from PubChem (CID 135409894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).