2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid

C20H15ClN2O2 — CID 91897852

IUPAC2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid
SMILESO=C(O)c1cc(/N=N/Cc2ccc(-c3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C20H15ClN2O2/c21-19-11-10-17(12-18(19)20(24)25)23-22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2,(H,24,25)/b23-22+
InChIKeySENCFABEXVJPDD-GHVJWSGMSA-N
MW350.81 g/mol
LogP5.99
Rot. Bonds5

About 2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid

2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid (PubChem CID 91897852) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid
PubChem CID91897852
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid
SMILESO=C(O)c1cc(/N=N/Cc2ccc(-c3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C20H15ClN2O2/c21-19-11-10-17(12-18(19)20(24)25)23-22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2,(H,24,25)/b23-22+
InChIKeySENCFABEXVJPDD-GHVJWSGMSA-N
XLogP5.99
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.81
LogP ≤ 55.99
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 2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid (CID 91897852) is 2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid is O=C(O)c1cc(/N=N/Cc2ccc(-c3ccccc3)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid?
The InChIKey is SENCFABEXVJPDD-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c21-19-11-10-17(12-18(19)20(24)25)23-22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2,(H,24,25)/b23-22+.
What are the key properties of 2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid?
2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid has a molecular weight of 350.81 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-phenylphenyl)methyldiazenyl]benzoic acid is sourced from PubChem (CID 91897852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).