4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol

C16H18N2O2 — CID 135787806

IUPAC4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol
SMILESCC(C)(C)c1ccc(O)c(/N=N/c2ccccc2O)c1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)11-8-9-15(20)13(10-11)18-17-12-6-4-5-7-14(12)19/h4-10,19-20H,1-3H3/b18-17+
InChIKeyHBXWADUNRSQMSS-ISLYRVAYSA-N
MW270.33 g/mol
LogP4.81
Rot. Bonds2

About 4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol

4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol (PubChem CID 135787806) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol
PubChem CID135787806
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol
SMILESCC(C)(C)c1ccc(O)c(/N=N/c2ccccc2O)c1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)11-8-9-15(20)13(10-11)18-17-12-6-4-5-7-14(12)19/h4-10,19-20H,1-3H3/b18-17+
InChIKeyHBXWADUNRSQMSS-ISLYRVAYSA-N
XLogP4.81
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol?
The IUPAC name of 4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol (CID 135787806) is 4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol is CC(C)(C)c1ccc(O)c(/N=N/c2ccccc2O)c1.
What is the InChIKey of 4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol?
The InChIKey is HBXWADUNRSQMSS-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)11-8-9-15(20)13(10-11)18-17-12-6-4-5-7-14(12)19/h4-10,19-20H,1-3H3/b18-17+.
What are the key properties of 4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol?
4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol has a molecular weight of 270.33 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol is sourced from PubChem (CID 135787806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).