2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol

C17H20N2O2 — CID 3967625

IUPAC2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol
SMILESCCOc1ccc(/N=N/c2cc(C(C)C)ccc2O)cc1
InChIInChI=1S/C17H20N2O2/c1-4-21-15-8-6-14(7-9-15)18-19-16-11-13(12(2)3)5-10-17(16)20/h5-12,20H,4H2,1-3H3/b19-18+
InChIKeyRRJIYLPMVLTWJJ-VHEBQXMUSA-N
MW284.36 g/mol
LogP5.33
Rot. Bonds5

About 2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol

2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol (PubChem CID 3967625) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol
PubChem CID3967625
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol
SMILESCCOc1ccc(/N=N/c2cc(C(C)C)ccc2O)cc1
InChIInChI=1S/C17H20N2O2/c1-4-21-15-8-6-14(7-9-15)18-19-16-11-13(12(2)3)5-10-17(16)20/h5-12,20H,4H2,1-3H3/b19-18+
InChIKeyRRJIYLPMVLTWJJ-VHEBQXMUSA-N
XLogP5.33
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol?
The IUPAC name of 2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol (CID 3967625) is 2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol.
What is the SMILES notation for 2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol?
The canonical SMILES for 2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol is CCOc1ccc(/N=N/c2cc(C(C)C)ccc2O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol?
The InChIKey is RRJIYLPMVLTWJJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-21-15-8-6-14(7-9-15)18-19-16-11-13(12(2)3)5-10-17(16)20/h5-12,20H,4H2,1-3H3/b19-18+.
What are the key properties of 2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol?
2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol has a molecular weight of 284.36 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)diazenyl]-4-propan-2-ylphenol is sourced from PubChem (CID 3967625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).