2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol

C20H24Cl2N2O — CID 135980027

IUPAC2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol
SMILESCC(C)(C)c1cc(/N=N/c2cc(Cl)ccc2Cl)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H24Cl2N2O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-23-16-11-13(21)7-8-15(16)22/h7-11,25H,1-6H3/b24-23+
InChIKeyJWOBFEBQCHPYTI-WCWDXBQESA-N
MW379.33 g/mol
LogP7.71
Rot. Bonds2

About 2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol

2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol (PubChem CID 135980027) has the molecular formula C20H24Cl2N2O and a molecular weight of 379.33 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol
PubChem CID135980027
Molecular FormulaC20H24Cl2N2O
Molecular Weight379.33 g/mol
Exact Mass378.13
IUPAC Name2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol
SMILESCC(C)(C)c1cc(/N=N/c2cc(Cl)ccc2Cl)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H24Cl2N2O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-23-16-11-13(21)7-8-15(16)22/h7-11,25H,1-6H3/b24-23+
InChIKeyJWOBFEBQCHPYTI-WCWDXBQESA-N
XLogP7.71
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.33
LogP ≤ 57.71
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-[(2,5-dichlorophenyl)diazenyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol (CID 135980027) is 2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol is CC(C)(C)c1cc(/N=N/c2cc(Cl)ccc2Cl)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol?
The InChIKey is JWOBFEBQCHPYTI-WCWDXBQESA-N. The full InChI is InChI=1S/C20H24Cl2N2O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-23-16-11-13(21)7-8-15(16)22/h7-11,25H,1-6H3/b24-23+.
What are the key properties of 2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol?
2,4-ditert-butyl-6-[(2,5-dichlorophenyl)diazenyl]phenol has a molecular weight of 379.33 g/mol, XLogP of 7.71, 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-[(2,5-dichlorophenyl)diazenyl]phenol is sourced from PubChem (CID 135980027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).