1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone

C20H24N2O2 — CID 147004042

IUPAC1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone
SMILESCCCCCCc1ccc(O)c(/N=N/c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C20H24N2O2/c1-3-4-5-6-7-16-8-13-20(24)19(14-16)22-21-18-11-9-17(10-12-18)15(2)23/h8-14,24H,3-7H2,1-2H3/b22-21+
InChIKeyLKZDCEFQXCMBSY-QURGRASLSA-N
MW324.42 g/mol
LogP6.13
Rot. Bonds8

About 1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone

1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone (PubChem CID 147004042) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone
PubChem CID147004042
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone
SMILESCCCCCCc1ccc(O)c(/N=N/c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C20H24N2O2/c1-3-4-5-6-7-16-8-13-20(24)19(14-16)22-21-18-11-9-17(10-12-18)15(2)23/h8-14,24H,3-7H2,1-2H3/b22-21+
InChIKeyLKZDCEFQXCMBSY-QURGRASLSA-N
XLogP6.13
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

4-decyl-2-[(4-methylphenyl)diazenyl]phenol
CID 4606730
2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol
CID 177435074
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
1-(4-hydroxyphenyl)ethanone;4-pentylphenol
CID 70426923
4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid
CID 137350178
bis(4-decylphenyl)diazene
CID 71359462
4-[(4-dodecylphenyl)diazenyl]phenol
CID 135625479
2-ethyl-4-heptylphenol
CID 58289223
[4-[(4-icosylphenyl)diazenyl]phenyl] 4-pentylbenzoate
CID 102425089
1-[4-(4-hexyl-2-methylphenyl)phenyl]ethanone
CID 142228673
4-[(4-hexylphenyl)diazenyl]-2-[2-[[5-[(4-hexylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]ethyliminomethyl]phenol
CID 136883501

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone (CID 147004042) is 1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone is CCCCCCc1ccc(O)c(/N=N/c2ccc(C(C)=O)cc2)c1.
What is the InChIKey of 1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone?
The InChIKey is LKZDCEFQXCMBSY-QURGRASLSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-4-5-6-7-16-8-13-20(24)19(14-16)22-21-18-11-9-17(10-12-18)15(2)23/h8-14,24H,3-7H2,1-2H3/b22-21+.
What are the key properties of 1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone?
1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone is sourced from PubChem (CID 147004042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).