4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol

C15H16N2O2 — CID 163811607

IUPAC4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol
SMILESCCc1cc(/N=N/c2ccc(O)c(C)c2)ccc1O
InChIInChI=1S/C15H16N2O2/c1-3-11-9-13(5-7-15(11)19)17-16-12-4-6-14(18)10(2)8-12/h4-9,18-19H,3H2,1-2H3/b17-16+
InChIKeyNNTJSKJIKHAQJM-WUKNDPDISA-N
MW256.31 g/mol
LogP4.38
Rot. Bonds3

About 4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol

4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol (PubChem CID 163811607) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol.

Molecular Properties

Compound Name4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol
PubChem CID163811607
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol
SMILESCCc1cc(/N=N/c2ccc(O)c(C)c2)ccc1O
InChIInChI=1S/C15H16N2O2/c1-3-11-9-13(5-7-15(11)19)17-16-12-4-6-14(18)10(2)8-12/h4-9,18-19H,3H2,1-2H3/b17-16+
InChIKeyNNTJSKJIKHAQJM-WUKNDPDISA-N
XLogP4.38
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.38
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol?
The IUPAC name of 4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol (CID 163811607) is 4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol.
What is the SMILES notation for 4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol?
The canonical SMILES for 4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol is CCc1cc(/N=N/c2ccc(O)c(C)c2)ccc1O.
What is the InChIKey of 4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol?
The InChIKey is NNTJSKJIKHAQJM-WUKNDPDISA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-11-9-13(5-7-15(11)19)17-16-12-4-6-14(18)10(2)8-12/h4-9,18-19H,3H2,1-2H3/b17-16+.
What are the key properties of 4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol?
4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol has a molecular weight of 256.31 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol is sourced from PubChem (CID 163811607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).