4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid

C23H22N2O3 — CID 134473552

IUPAC4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2ccc(-c3ccc(CCCCO)cc3)cc2)cc1
InChIInChI=1S/C23H22N2O3/c26-16-2-1-3-17-4-6-18(7-5-17)19-8-12-21(13-9-19)24-25-22-14-10-20(11-15-22)23(27)28/h4-15,26H,1-3,16H2,(H,27,28)/b25-24+
InChIKeyCDDHWUFSDPLKNJ-OCOZRVBESA-N
MW374.44 g/mol
LogP5.78
Rot. Bonds8

About 4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid

4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid (PubChem CID 134473552) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid
PubChem CID134473552
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2ccc(-c3ccc(CCCCO)cc3)cc2)cc1
InChIInChI=1S/C23H22N2O3/c26-16-2-1-3-17-4-6-18(7-5-17)19-8-12-21(13-9-19)24-25-22-14-10-20(11-15-22)23(27)28/h4-15,26H,1-3,16H2,(H,27,28)/b25-24+
InChIKeyCDDHWUFSDPLKNJ-OCOZRVBESA-N
XLogP5.78
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.78
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-[4-[4-(4-methylphenyl)butyl]phenyl]benzoic acid
CID 67375612
4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531
4-(4-dodecylphenyl)benzoic acid
CID 3092136
4-(4-phenylphenyl)butan-1-ol
CID 11970468
4-(4-butylphenyl)benzoic acid;ethane
CID 144633228
4-(2-hydroxyethyl)benzoic acid
CID 506062
4-[2-(4-pentylphenyl)phenyl]benzoic acid
CID 139608159
4-(4-iodobutyl)benzoic acid
CID 86118519
1-[4-(4-hydroxybutyl)phenyl]ethanone
CID 14995223
4-phenyldiazenylbenzoic acid
CID 15276
ethane-1,2-diol;octane-1,8-diol;terephthalic acid
CID 67530978
4-[4-(4-methylhexyl)phenyl]benzoic acid
CID 19028475

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid?
The IUPAC name of 4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid (CID 134473552) is 4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid.
What is the SMILES notation for 4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid?
The canonical SMILES for 4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid is O=C(O)c1ccc(/N=N/c2ccc(-c3ccc(CCCCO)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid?
The InChIKey is CDDHWUFSDPLKNJ-OCOZRVBESA-N. The full InChI is InChI=1S/C23H22N2O3/c26-16-2-1-3-17-4-6-18(7-5-17)19-8-12-21(13-9-19)24-25-22-14-10-20(11-15-22)23(27)28/h4-15,26H,1-3,16H2,(H,27,28)/b25-24+.
What are the key properties of 4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid?
4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid has a molecular weight of 374.44 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(4-hydroxybutyl)phenyl]phenyl]diazenyl]benzoic acid is sourced from PubChem (CID 134473552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).