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

C14H12N2O2 — CID 563564

IUPAC4-[(3-methylphenyl)diazenyl]benzoic acid
SMILESCc1cccc(/N=N/c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H12N2O2/c1-10-3-2-4-13(9-10)16-15-12-7-5-11(6-8-12)14(17)18/h2-9H,1H3,(H,17,18)/b16-15+
InChIKeyCQNRXKKDDJYXQN-FOCLMDBBSA-N
MW240.26 g/mol
LogP4.11
Rot. Bonds3

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

4-[(3-methylphenyl)diazenyl]benzoic acid (PubChem CID 563564) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[(3-methylphenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-methylphenyl)diazenyl]benzoic acid
PubChem CID563564
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-[(3-methylphenyl)diazenyl]benzoic acid
SMILESCc1cccc(/N=N/c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H12N2O2/c1-10-3-2-4-13(9-10)16-15-12-7-5-11(6-8-12)14(17)18/h2-9H,1H3,(H,17,18)/b16-15+
InChIKeyCQNRXKKDDJYXQN-FOCLMDBBSA-N
XLogP4.11
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 54.11
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-[(3-methylphenyl)diazenyl]benzoic acid?
The IUPAC name of 4-[(3-methylphenyl)diazenyl]benzoic acid (CID 563564) is 4-[(3-methylphenyl)diazenyl]benzoic acid.
What is the SMILES notation for 4-[(3-methylphenyl)diazenyl]benzoic acid?
The canonical SMILES for 4-[(3-methylphenyl)diazenyl]benzoic acid is Cc1cccc(/N=N/c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(3-methylphenyl)diazenyl]benzoic acid?
The InChIKey is CQNRXKKDDJYXQN-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10-3-2-4-13(9-10)16-15-12-7-5-11(6-8-12)14(17)18/h2-9H,1H3,(H,17,18)/b16-15+.
What are the key properties of 4-[(3-methylphenyl)diazenyl]benzoic acid?
4-[(3-methylphenyl)diazenyl]benzoic acid has a molecular weight of 240.26 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)diazenyl]benzoic acid is sourced from PubChem (CID 563564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).