phenazine-1,4-diol

C12H8N2O2 — CID 135452589

IUPACphenazine-1,4-diol
SMILESOc1ccc(O)c2nc3ccccc3nc12
InChIInChI=1S/C12H8N2O2/c15-9-5-6-10(16)12-11(9)13-7-3-1-2-4-8(7)14-12/h1-6,15-16H
InChIKeyVAASABGZPGHBSZ-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.19
Rot. Bonds

About phenazine-1,4-diol

phenazine-1,4-diol (PubChem CID 135452589) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is phenazine-1,4-diol.

Molecular Properties

Compound Namephenazine-1,4-diol
PubChem CID135452589
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Namephenazine-1,4-diol
SMILESOc1ccc(O)c2nc3ccccc3nc12
InChIInChI=1S/C12H8N2O2/c15-9-5-6-10(16)12-11(9)13-7-3-1-2-4-8(7)14-12/h1-6,15-16H
InChIKeyVAASABGZPGHBSZ-UHFFFAOYSA-N
XLogP2.19
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenazine-1,4-diol?
The IUPAC name of phenazine-1,4-diol (CID 135452589) is phenazine-1,4-diol.
What is the SMILES notation for phenazine-1,4-diol?
The canonical SMILES for phenazine-1,4-diol is Oc1ccc(O)c2nc3ccccc3nc12.
What is the InChIKey of phenazine-1,4-diol?
The InChIKey is VAASABGZPGHBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-9-5-6-10(16)12-11(9)13-7-3-1-2-4-8(7)14-12/h1-6,15-16H.
What are the key properties of phenazine-1,4-diol?
phenazine-1,4-diol has a molecular weight of 212.21 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenazine-1,4-diol is sourced from PubChem (CID 135452589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).