4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid

C17H18N2O2 — CID 91897533

IUPAC4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid
SMILESCC(C)c1ccc(C/N=N/c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-16-9-7-15(8-10-16)17(20)21/h3-10,12H,11H2,1-2H3,(H,20,21)/b19-18+
InChIKeyADOCOKTZKPVEJV-VHEBQXMUSA-N
MW282.34 g/mol
LogP4.79
Rot. Bonds5

About 4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid

4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid (PubChem CID 91897533) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid
PubChem CID91897533
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid
SMILESCC(C)c1ccc(C/N=N/c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-16-9-7-15(8-10-16)17(20)21/h3-10,12H,11H2,1-2H3,(H,20,21)/b19-18+
InChIKeyADOCOKTZKPVEJV-VHEBQXMUSA-N
XLogP4.79
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.79
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-[(4-propan-2-ylphenyl)methyldiazenyl]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-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
CID 54605006
pentane-2,4-diol;bis(4-propan-2-ylbenzoic acid)
CID 66727844
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
3-[(4-aminophenyl)methyldiazenyl]benzoic acid
CID 91202779
4-[[2-(4-propan-2-ylphenyl)ethylamino]methyl]benzoic acid
CID 122030006
4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)benzoic acid
CID 139957756
4-(quinolin-6-ylmethyldiazenyl)benzoic acid
CID 91899522
5-[(4-methoxyphenyl)methyldiazenyl]benzene-1,3-dicarboxylic acid
CID 90925844
4-(1-phenylethyldiazenyl)benzoic acid
CID 91596137
3-[(4-tert-butylphenyl)methyldiazenyl]benzoic acid
CID 91896857
4-(quinolin-4-ylmethyldiazenyl)benzoic acid
CID 91212564

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid?
The IUPAC name of 4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid (CID 91897533) is 4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid is CC(C)c1ccc(C/N=N/c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid?
The InChIKey is ADOCOKTZKPVEJV-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-16-9-7-15(8-10-16)17(20)21/h3-10,12H,11H2,1-2H3,(H,20,21)/b19-18+.
What are the key properties of 4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid?
4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid has a molecular weight of 282.34 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid is sourced from PubChem (CID 91897533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).