4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid

C18H14N2O2 — CID 102404378

IUPAC4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2cccc(C3=CC=CC3)c2)cc1
InChIInChI=1S/C18H14N2O2/c21-18(22)14-8-10-16(11-9-14)19-20-17-7-3-6-15(12-17)13-4-1-2-5-13/h1-4,6-12H,5H2,(H,21,22)/b20-19+
InChIKeyPPECSAMDRUTYFO-FMQUCBEESA-N
MW290.32 g/mol
LogP5.14
Rot. Bonds4

About 4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid

4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid (PubChem CID 102404378) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid
PubChem CID102404378
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid
SMILESO=C(O)c1ccc(/N=N/c2cccc(C3=CC=CC3)c2)cc1
InChIInChI=1S/C18H14N2O2/c21-18(22)14-8-10-16(11-9-14)19-20-17-7-3-6-15(12-17)13-4-1-2-5-13/h1-4,6-12H,5H2,(H,21,22)/b20-19+
InChIKeyPPECSAMDRUTYFO-FMQUCBEESA-N
XLogP5.14
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.32
LogP ≤ 55.14
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'}

Analyze 4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid 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-phenyldiazenylbenzoic acid
CID 15276
4-[(3-hydroxyphenyl)diazenyl]benzoic acid
CID 101366550
3-phenyldiazenylbenzoic acid
CID 555783
3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid
CID 136915987
3-[(3,4-dihydroxyphenyl)diazenyl]benzoic acid
CID 135853153
4-[[4-[(4-carboxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzoic acid
CID 177296906
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
3-(4-carboxyphenyl)benzoic acid
CID 11550488
3-(aminodiazenyl)benzoic acid
CID 147903566
disodium;3-[(3-carboxylatophenyl)diazenyl]benzoate
CID 101498255
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid?
The IUPAC name of 4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid (CID 102404378) is 4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid.
What is the SMILES notation for 4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid?
The canonical SMILES for 4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid is O=C(O)c1ccc(/N=N/c2cccc(C3=CC=CC3)c2)cc1.
What is the InChIKey of 4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid?
The InChIKey is PPECSAMDRUTYFO-FMQUCBEESA-N. The full InChI is InChI=1S/C18H14N2O2/c21-18(22)14-8-10-16(11-9-14)19-20-17-7-3-6-15(12-17)13-4-1-2-5-13/h1-4,6-12H,5H2,(H,21,22)/b20-19+.
What are the key properties of 4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid?
4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid is sourced from PubChem (CID 102404378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).