5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol

C13H12ClN3O — CID 135689336

IUPAC5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol
SMILESCc1cc(/N=N/c2ccc(Cl)cc2)c(N)cc1O
InChIInChI=1S/C13H12ClN3O/c1-8-6-12(11(15)7-13(8)18)17-16-10-4-2-9(14)3-5-10/h2-7,18H,15H2,1H3/b17-16+
InChIKeyGJXJVBLQPAAKHN-WUKNDPDISA-N
MW261.71 g/mol
LogP4.35
Rot. Bonds2

About 5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol

5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol (PubChem CID 135689336) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol.

Molecular Properties

Compound Name5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol
PubChem CID135689336
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol
SMILESCc1cc(/N=N/c2ccc(Cl)cc2)c(N)cc1O
InChIInChI=1S/C13H12ClN3O/c1-8-6-12(11(15)7-13(8)18)17-16-10-4-2-9(14)3-5-10/h2-7,18H,15H2,1H3/b17-16+
InChIKeyGJXJVBLQPAAKHN-WUKNDPDISA-N
XLogP4.35
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol?
The IUPAC name of 5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol (CID 135689336) is 5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol.
What is the SMILES notation for 5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol?
The canonical SMILES for 5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol is Cc1cc(/N=N/c2ccc(Cl)cc2)c(N)cc1O.
What is the InChIKey of 5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol?
The InChIKey is GJXJVBLQPAAKHN-WUKNDPDISA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-6-12(11(15)7-13(8)18)17-16-10-4-2-9(14)3-5-10/h2-7,18H,15H2,1H3/b17-16+.
What are the key properties of 5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol?
5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol has a molecular weight of 261.71 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol is sourced from PubChem (CID 135689336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).