4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid

C20H24N2O2 — CID 86140958

IUPAC4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid
SMILESCCCCc1ccc(/N=N/c2ccc(CCCC(=O)O)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-3-5-16-8-12-18(13-9-16)21-22-19-14-10-17(11-15-19)6-4-7-20(23)24/h8-15H,2-7H2,1H3,(H,23,24)/b22-21+
InChIKeyNZZOOAGSNMPTTQ-QURGRASLSA-N
MW324.42 g/mol
LogP5.85
Rot. Bonds9

About 4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid

4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid (PubChem CID 86140958) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid
PubChem CID86140958
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid
SMILESCCCCc1ccc(/N=N/c2ccc(CCCC(=O)O)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-3-5-16-8-12-18(13-9-16)21-22-19-14-10-17(11-15-19)6-4-7-20(23)24/h8-15H,2-7H2,1H3,(H,23,24)/b22-21+
InChIKeyNZZOOAGSNMPTTQ-QURGRASLSA-N
XLogP5.85
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid?
The IUPAC name of 4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid (CID 86140958) is 4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid is CCCCc1ccc(/N=N/c2ccc(CCCC(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid?
The InChIKey is NZZOOAGSNMPTTQ-QURGRASLSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-3-5-16-8-12-18(13-9-16)21-22-19-14-10-17(11-15-19)6-4-7-20(23)24/h8-15H,2-7H2,1H3,(H,23,24)/b22-21+.
What are the key properties of 4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid?
4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid has a molecular weight of 324.42 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoic acid is sourced from PubChem (CID 86140958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).