2-diazenyl-3,4-bis(ethenyl)phenol;ethane

C12H16N2O — CID 142860543

IUPAC2-diazenyl-3,4-bis(ethenyl)phenol;ethane
SMILESCC.[H]/N=N/c1c(O)ccc(C=C)c1C=C
InChIInChI=1S/C10H10N2O.C2H6/c1-3-7-5-6-9(13)10(12-11)8(7)4-2;1-2/h3-6,11,13H,1-2H2;1-2H3/b12-11+;
InChIKeyXCNIRFIDSVRBAJ-CALJPSDSSA-N
MW204.27 g/mol
LogP4.37
Rot. Bonds3

About 2-diazenyl-3,4-bis(ethenyl)phenol;ethane

2-diazenyl-3,4-bis(ethenyl)phenol;ethane (PubChem CID 142860543) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-diazenyl-3,4-bis(ethenyl)phenol;ethane.

Molecular Properties

Compound Name2-diazenyl-3,4-bis(ethenyl)phenol;ethane
PubChem CID142860543
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-diazenyl-3,4-bis(ethenyl)phenol;ethane
SMILESCC.[H]/N=N/c1c(O)ccc(C=C)c1C=C
InChIInChI=1S/C10H10N2O.C2H6/c1-3-7-5-6-9(13)10(12-11)8(7)4-2;1-2/h3-6,11,13H,1-2H2;1-2H3/b12-11+;
InChIKeyXCNIRFIDSVRBAJ-CALJPSDSSA-N
XLogP4.37
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-diazenyl-3,4-bis(ethenyl)phenol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-diazenyl-3,4-bis(ethenyl)phenol;ethane?
The IUPAC name of 2-diazenyl-3,4-bis(ethenyl)phenol;ethane (CID 142860543) is 2-diazenyl-3,4-bis(ethenyl)phenol;ethane.
What is the SMILES notation for 2-diazenyl-3,4-bis(ethenyl)phenol;ethane?
The canonical SMILES for 2-diazenyl-3,4-bis(ethenyl)phenol;ethane is CC.[H]/N=N/c1c(O)ccc(C=C)c1C=C.
What is the InChIKey of 2-diazenyl-3,4-bis(ethenyl)phenol;ethane?
The InChIKey is XCNIRFIDSVRBAJ-CALJPSDSSA-N. The full InChI is InChI=1S/C10H10N2O.C2H6/c1-3-7-5-6-9(13)10(12-11)8(7)4-2;1-2/h3-6,11,13H,1-2H2;1-2H3/b12-11+;.
What are the key properties of 2-diazenyl-3,4-bis(ethenyl)phenol;ethane?
2-diazenyl-3,4-bis(ethenyl)phenol;ethane has a molecular weight of 204.27 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenyl-3,4-bis(ethenyl)phenol;ethane is sourced from PubChem (CID 142860543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).