(2-nitrophenyl)-phenyldiazene;phenol

C18H15N3O3 — CID 20526289

IUPAC(2-nitrophenyl)-phenyldiazene;phenol
SMILESO=[N+]([O-])c1ccccc1/N=N/c1ccccc1.Oc1ccccc1
InChIInChI=1S/C12H9N3O2.C6H6O/c16-15(17)12-9-5-4-8-11(12)14-13-10-6-2-1-3-7-10;7-6-4-2-1-3-5-6/h1-9H;1-5,7H/b14-13+;
InChIKeyVSAHAUDFDWJVMN-IERUDJENSA-N
MW321.34 g/mol
LogP5.40
Rot. Bonds3

About (2-nitrophenyl)-phenyldiazene;phenol

(2-nitrophenyl)-phenyldiazene;phenol (PubChem CID 20526289) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is (2-nitrophenyl)-phenyldiazene;phenol.

Molecular Properties

Compound Name(2-nitrophenyl)-phenyldiazene;phenol
PubChem CID20526289
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name(2-nitrophenyl)-phenyldiazene;phenol
SMILESO=[N+]([O-])c1ccccc1/N=N/c1ccccc1.Oc1ccccc1
InChIInChI=1S/C12H9N3O2.C6H6O/c16-15(17)12-9-5-4-8-11(12)14-13-10-6-2-1-3-7-10;7-6-4-2-1-3-5-6/h1-9H;1-5,7H/b14-13+;
InChIKeyVSAHAUDFDWJVMN-IERUDJENSA-N
XLogP5.40
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.34
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-nitrophenyl)phenyl]-phenyldiazene
CID 15701872
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
molecular hydrogen;2-nitrophenol;phenol;hydrochloride
CID 174404115
chloro-(2-nitrophenyl)diazene
CID 13403227
diphenyldiazene;1-ethenyl-2-nitrobenzene
CID 175087303
[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene
CID 141047377
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
2-phenyldiazenylphenol
CID 16897
4-[[2-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenol
CID 174765894
(4-nitrophenyl)-phenyldiazene
CID 17222
1-ethenyl-2-nitrobenzene;phenol
CID 174937072

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)-phenyldiazene;phenol?
The IUPAC name of (2-nitrophenyl)-phenyldiazene;phenol (CID 20526289) is (2-nitrophenyl)-phenyldiazene;phenol.
What is the SMILES notation for (2-nitrophenyl)-phenyldiazene;phenol?
The canonical SMILES for (2-nitrophenyl)-phenyldiazene;phenol is O=[N+]([O-])c1ccccc1/N=N/c1ccccc1.Oc1ccccc1.
What is the InChIKey of (2-nitrophenyl)-phenyldiazene;phenol?
The InChIKey is VSAHAUDFDWJVMN-IERUDJENSA-N. The full InChI is InChI=1S/C12H9N3O2.C6H6O/c16-15(17)12-9-5-4-8-11(12)14-13-10-6-2-1-3-7-10;7-6-4-2-1-3-5-6/h1-9H;1-5,7H/b14-13+;.
What are the key properties of (2-nitrophenyl)-phenyldiazene;phenol?
(2-nitrophenyl)-phenyldiazene;phenol has a molecular weight of 321.34 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)-phenyldiazene;phenol is sourced from PubChem (CID 20526289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).