4-[(4-aminophenyl)diazenyl]phenol

C12H11N3O — CID 7640

IUPAC4-[(4-aminophenyl)diazenyl]phenol
SMILESNc1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C12H11N3O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H,13H2/b15-14+
InChIKeyNCKPQOUTAMSEAO-CCEZHUSRSA-N
MW213.24 g/mol
LogP3.39
Rot. Bonds2

About 4-[(4-aminophenyl)diazenyl]phenol

4-[(4-aminophenyl)diazenyl]phenol (PubChem CID 7640) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[(4-aminophenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(4-aminophenyl)diazenyl]phenol
PubChem CID7640
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name4-[(4-aminophenyl)diazenyl]phenol
SMILESNc1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C12H11N3O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H,13H2/b15-14+
InChIKeyNCKPQOUTAMSEAO-CCEZHUSRSA-N
XLogP3.39
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', '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 4-[(4-aminophenyl)diazenyl]phenol?
The IUPAC name of 4-[(4-aminophenyl)diazenyl]phenol (CID 7640) is 4-[(4-aminophenyl)diazenyl]phenol.
What is the SMILES notation for 4-[(4-aminophenyl)diazenyl]phenol?
The canonical SMILES for 4-[(4-aminophenyl)diazenyl]phenol is Nc1ccc(/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)diazenyl]phenol?
The InChIKey is NCKPQOUTAMSEAO-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H11N3O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H,13H2/b15-14+.
What are the key properties of 4-[(4-aminophenyl)diazenyl]phenol?
4-[(4-aminophenyl)diazenyl]phenol has a molecular weight of 213.24 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)diazenyl]phenol is sourced from PubChem (CID 7640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).