4-(1-phenylethyldiazenyl)benzoic acid

C15H14N2O2 — CID 91596137

IUPAC4-(1-phenylethyldiazenyl)benzoic acid
SMILESCC(/N=N/c1ccc(C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-11(12-5-3-2-4-6-12)16-17-14-9-7-13(8-10-14)15(18)19/h2-11H,1H3,(H,18,19)/b17-16+
InChIKeyMKNRSAZAPIXHBT-WUKNDPDISA-N
MW254.29 g/mol
LogP4.23
Rot. Bonds4

About 4-(1-phenylethyldiazenyl)benzoic acid

4-(1-phenylethyldiazenyl)benzoic acid (PubChem CID 91596137) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(1-phenylethyldiazenyl)benzoic acid.

Molecular Properties

Compound Name4-(1-phenylethyldiazenyl)benzoic acid
PubChem CID91596137
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-(1-phenylethyldiazenyl)benzoic acid
SMILESCC(/N=N/c1ccc(C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-11(12-5-3-2-4-6-12)16-17-14-9-7-13(8-10-14)15(18)19/h2-11H,1H3,(H,18,19)/b17-16+
InChIKeyMKNRSAZAPIXHBT-WUKNDPDISA-N
XLogP4.23
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 54.23
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-(1-phenylethyldiazenyl)benzoic acid?
The IUPAC name of 4-(1-phenylethyldiazenyl)benzoic acid (CID 91596137) is 4-(1-phenylethyldiazenyl)benzoic acid.
What is the SMILES notation for 4-(1-phenylethyldiazenyl)benzoic acid?
The canonical SMILES for 4-(1-phenylethyldiazenyl)benzoic acid is CC(/N=N/c1ccc(C(=O)O)cc1)c1ccccc1.
What is the InChIKey of 4-(1-phenylethyldiazenyl)benzoic acid?
The InChIKey is MKNRSAZAPIXHBT-WUKNDPDISA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11(12-5-3-2-4-6-12)16-17-14-9-7-13(8-10-14)15(18)19/h2-11H,1H3,(H,18,19)/b17-16+.
What are the key properties of 4-(1-phenylethyldiazenyl)benzoic acid?
4-(1-phenylethyldiazenyl)benzoic acid has a molecular weight of 254.29 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyldiazenyl)benzoic acid is sourced from PubChem (CID 91596137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).