2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol

C22H22N2O — CID 140654343

IUPAC2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol
SMILESCC(C)(C)c1cccc(/N=N/c2ccccc2-c2ccccc2)c1O
InChIInChI=1S/C22H22N2O/c1-22(2,3)18-13-9-15-20(21(18)25)24-23-19-14-8-7-12-17(19)16-10-5-4-6-11-16/h4-15,25H,1-3H3/b24-23+
InChIKeyMLRLOTGNWPIBKJ-WCWDXBQESA-N
MW330.43 g/mol
LogP6.77
Rot. Bonds3

About 2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol

2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol (PubChem CID 140654343) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol
PubChem CID140654343
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol
SMILESCC(C)(C)c1cccc(/N=N/c2ccccc2-c2ccccc2)c1O
InChIInChI=1S/C22H22N2O/c1-22(2,3)18-13-9-15-20(21(18)25)24-23-19-14-8-7-12-17(19)16-10-5-4-6-11-16/h4-15,25H,1-3H3/b24-23+
InChIKeyMLRLOTGNWPIBKJ-WCWDXBQESA-N
XLogP6.77
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 56.77
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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Related Compounds

2-tert-butyl-6-[(2,2,2-trifluoro-1-phenylethylidene)amino]phenol
CID 100965136
2-tert-butyl-6-(trifluoromethyldiazenyl)phenol
CID 137066159
2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol
CID 137098307
3,6-ditert-butyl-2-phenylphenol
CID 88520586
1-tert-butyl-2-methyl-3-phenylbenzene
CID 58759488
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334
2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol
CID 87308555
1,2-ditert-butyl-3-(4-phenylphenyl)benzene
CID 19802295
(2-tert-butyl-6-phenylphenyl)methylphosphane
CID 67259813

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol?
The IUPAC name of 2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol (CID 140654343) is 2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol is CC(C)(C)c1cccc(/N=N/c2ccccc2-c2ccccc2)c1O.
What is the InChIKey of 2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol?
The InChIKey is MLRLOTGNWPIBKJ-WCWDXBQESA-N. The full InChI is InChI=1S/C22H22N2O/c1-22(2,3)18-13-9-15-20(21(18)25)24-23-19-14-8-7-12-17(19)16-10-5-4-6-11-16/h4-15,25H,1-3H3/b24-23+.
What are the key properties of 2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol?
2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol has a molecular weight of 330.43 g/mol, XLogP of 6.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol is sourced from PubChem (CID 140654343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).