4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol

C17H20N2O — CID 141107541

IUPAC4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol
SMILESCCC(C)(C)c1ccc(O)c(/N=N/c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-4-17(2,3)13-10-11-16(20)15(12-13)19-18-14-8-6-5-7-9-14/h5-12,20H,4H2,1-3H3/b19-18+
InChIKeyUEOUVTNRDITGTR-VHEBQXMUSA-N
MW268.36 g/mol
LogP5.50
Rot. Bonds4

About 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol

4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol (PubChem CID 141107541) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol
PubChem CID141107541
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol
SMILESCCC(C)(C)c1ccc(O)c(/N=N/c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-4-17(2,3)13-10-11-16(20)15(12-13)19-18-14-8-6-5-7-9-14/h5-12,20H,4H2,1-3H3/b19-18+
InChIKeyUEOUVTNRDITGTR-VHEBQXMUSA-N
XLogP5.50
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.50
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 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol (CID 141107541) is 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol is CCC(C)(C)c1ccc(O)c(/N=N/c2ccccc2)c1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol?
The InChIKey is UEOUVTNRDITGTR-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H20N2O/c1-4-17(2,3)13-10-11-16(20)15(12-13)19-18-14-8-6-5-7-9-14/h5-12,20H,4H2,1-3H3/b19-18+.
What are the key properties of 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol?
4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol has a molecular weight of 268.36 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol is sourced from PubChem (CID 141107541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).