3-[(3-aminophenyl)diazenyl]phenol

C12H11N3O — CID 134818875

IUPAC3-[(3-aminophenyl)diazenyl]phenol
SMILESNc1cccc(/N=N/c2cccc(O)c2)c1
InChIInChI=1S/C12H11N3O/c13-9-3-1-4-10(7-9)14-15-11-5-2-6-12(16)8-11/h1-8,16H,13H2/b15-14+
InChIKeyXECURFCSTDXPLX-CCEZHUSRSA-N
MW213.24 g/mol
LogP3.39
Rot. Bonds2

About 3-[(3-aminophenyl)diazenyl]phenol

3-[(3-aminophenyl)diazenyl]phenol (PubChem CID 134818875) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[(3-aminophenyl)diazenyl]phenol.

Molecular Properties

Compound Name3-[(3-aminophenyl)diazenyl]phenol
PubChem CID134818875
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-[(3-aminophenyl)diazenyl]phenol
SMILESNc1cccc(/N=N/c2cccc(O)c2)c1
InChIInChI=1S/C12H11N3O/c13-9-3-1-4-10(7-9)14-15-11-5-2-6-12(16)8-11/h1-8,16H,13H2/b15-14+
InChIKeyXECURFCSTDXPLX-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-aminophenol;molecular nitrogen
CID 174840874
3-aminophenol;benzene-1,3-diol;ethane
CID 142022536
3-aminophenol;4-aminophenol;benzene-1,3-diamine;benzene-1,4-diamine
CID 174818324
4-[(3-hydroxyphenyl)diazenyl]benzoic acid
CID 101366550
3-[(3-nitrophenyl)diazenyl]aniline
CID 54370732
N'-(3-hydroxyphenyl)ethanimidamide
CID 10681010
bis(3-aminophenol);1,1,1,3,3,3-hexafluoropropane
CID 158377078
benzene-1,3-diamine
CID 7935
4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride
CID 170924083
3-aminophenol;2-methylpropanoic acid
CID 70507875
benzene-1,3-diol;dipyridin-4-yldiazene
CID 139148024
(Z)-3-amino-N'-(3-hydroxyphenyl)-2-methylprop-2-enimidamide
CID 89361397

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)diazenyl]phenol?
The IUPAC name of 3-[(3-aminophenyl)diazenyl]phenol (CID 134818875) is 3-[(3-aminophenyl)diazenyl]phenol.
What is the SMILES notation for 3-[(3-aminophenyl)diazenyl]phenol?
The canonical SMILES for 3-[(3-aminophenyl)diazenyl]phenol is Nc1cccc(/N=N/c2cccc(O)c2)c1.
What is the InChIKey of 3-[(3-aminophenyl)diazenyl]phenol?
The InChIKey is XECURFCSTDXPLX-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H11N3O/c13-9-3-1-4-10(7-9)14-15-11-5-2-6-12(16)8-11/h1-8,16H,13H2/b15-14+.
What are the key properties of 3-[(3-aminophenyl)diazenyl]phenol?
3-[(3-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 3-[(3-aminophenyl)diazenyl]phenol is sourced from PubChem (CID 134818875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).