4-[(3-hydroxyphenyl)diazenyl]benzoic acid

C13H10N2O3 — CID 101366550

IUPAC4-[(3-hydroxyphenyl)diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2cccc(O)c2)cc1
InChIInChI=1S/C13H10N2O3/c16-12-3-1-2-11(8-12)15-14-10-6-4-9(5-7-10)13(17)18/h1-8,16H,(H,17,18)/b15-14+
InChIKeySJWMCFULIGRRLR-CCEZHUSRSA-N
MW242.23 g/mol
LogP3.51
Rot. Bonds3

About 4-[(3-hydroxyphenyl)diazenyl]benzoic acid

4-[(3-hydroxyphenyl)diazenyl]benzoic acid (PubChem CID 101366550) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-[(3-hydroxyphenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-hydroxyphenyl)diazenyl]benzoic acid
PubChem CID101366550
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name4-[(3-hydroxyphenyl)diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2cccc(O)c2)cc1
InChIInChI=1S/C13H10N2O3/c16-12-3-1-2-11(8-12)15-14-10-6-4-9(5-7-10)13(17)18/h1-8,16H,(H,17,18)/b15-14+
InChIKeySJWMCFULIGRRLR-CCEZHUSRSA-N
XLogP3.51
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 53.51
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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Related Compounds

4-phenyldiazenylbenzoic acid
CID 15276
3-phenyldiazenylbenzoic acid
CID 555783
benzene-1,3-diol;benzoic acid
CID 53446063
3-[(3,4-dihydroxyphenyl)diazenyl]benzoic acid
CID 135853153
4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid
CID 102404378
CID 66671873
CID 66671873
CID 174830791
CID 174830791
3-hydroxybenzoic acid;hydrochloride
CID 118389750
3-[(3-aminophenyl)diazenyl]phenol
CID 134818875
4-[[4-[(4-carboxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzoic acid
CID 177296906
4-methylbenzoic acid;3-methylphenol
CID 159152247
3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid
CID 136915987

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyphenyl)diazenyl]benzoic acid?
The IUPAC name of 4-[(3-hydroxyphenyl)diazenyl]benzoic acid (CID 101366550) is 4-[(3-hydroxyphenyl)diazenyl]benzoic acid.
What is the SMILES notation for 4-[(3-hydroxyphenyl)diazenyl]benzoic acid?
The canonical SMILES for 4-[(3-hydroxyphenyl)diazenyl]benzoic acid is O=C(O)c1ccc(/N=N/c2cccc(O)c2)cc1.
What is the InChIKey of 4-[(3-hydroxyphenyl)diazenyl]benzoic acid?
The InChIKey is SJWMCFULIGRRLR-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-12-3-1-2-11(8-12)15-14-10-6-4-9(5-7-10)13(17)18/h1-8,16H,(H,17,18)/b15-14+.
What are the key properties of 4-[(3-hydroxyphenyl)diazenyl]benzoic acid?
4-[(3-hydroxyphenyl)diazenyl]benzoic acid has a molecular weight of 242.23 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyphenyl)diazenyl]benzoic acid is sourced from PubChem (CID 101366550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).