1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone

C15H14N2O2 — CID 3514586

IUPAC1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=N/c2cc(C)ccc2O)cc1
InChIInChI=1S/C15H14N2O2/c1-10-3-8-15(19)14(9-10)17-16-13-6-4-12(5-7-13)11(2)18/h3-9,19H,1-2H3/b17-16+
InChIKeyGNIPJDMMDYYSAY-WUKNDPDISA-N
MW254.29 g/mol
LogP4.32
Rot. Bonds3

About 1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone

1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone (PubChem CID 3514586) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone
PubChem CID3514586
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=N/c2cc(C)ccc2O)cc1
InChIInChI=1S/C15H14N2O2/c1-10-3-8-15(19)14(9-10)17-16-13-6-4-12(5-7-13)11(2)18/h3-9,19H,1-2H3/b17-16+
InChIKeyGNIPJDMMDYYSAY-WUKNDPDISA-N
XLogP4.32
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 54.32
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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Related Compounds

4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
2-[(3,5-dimethylphenyl)diazenyl]-4-methylphenol
CID 3520182
benzene;2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
CID 160570750
1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone
CID 147004042
methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone)
CID 159441223
[2-[4-[(2-hydroxy-5-methylphenyl)diazenyl]anilino]-2-oxoethyl]-trimethylazanium
CID 136707795
2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid
CID 135764710
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
1-(4-hydroxy-3-nitrosophenyl)ethanone
CID 45086356
methyl 4-[(4-acetylphenyl)diazenyl]-2-hydroxybenzoate
CID 142112506
[2-[(4-acetylphenyl)diazenyl]phenyl]boronic acid
CID 158699237

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone (CID 3514586) is 1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone is CC(=O)c1ccc(/N=N/c2cc(C)ccc2O)cc1.
What is the InChIKey of 1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone?
The InChIKey is GNIPJDMMDYYSAY-WUKNDPDISA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-3-8-15(19)14(9-10)17-16-13-6-4-12(5-7-13)11(2)18/h3-9,19H,1-2H3/b17-16+.
What are the key properties of 1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone?
1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone has a molecular weight of 254.29 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone is sourced from PubChem (CID 3514586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).