3,10-dimethyl-5H-phenazine-2,7-diol

C14H14N2O2 — CID 19996284

IUPAC3,10-dimethyl-5H-phenazine-2,7-diol
SMILESCc1cc2c(cc1O)N(C)c1ccc(O)cc1N2
InChIInChI=1S/C14H14N2O2/c1-8-5-10-13(7-14(8)18)16(2)12-4-3-9(17)6-11(12)15-10/h3-7,15,17-18H,1-2H3
InChIKeyTUOBEIDLHAUUFW-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.23
Rot. Bonds

About 3,10-dimethyl-5H-phenazine-2,7-diol

3,10-dimethyl-5H-phenazine-2,7-diol (PubChem CID 19996284) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3,10-dimethyl-5H-phenazine-2,7-diol.

Molecular Properties

Compound Name3,10-dimethyl-5H-phenazine-2,7-diol
PubChem CID19996284
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3,10-dimethyl-5H-phenazine-2,7-diol
SMILESCc1cc2c(cc1O)N(C)c1ccc(O)cc1N2
InChIInChI=1S/C14H14N2O2/c1-8-5-10-13(7-14(8)18)16(2)12-4-3-9(17)6-11(12)15-10/h3-7,15,17-18H,1-2H3
InChIKeyTUOBEIDLHAUUFW-UHFFFAOYSA-N
XLogP3.23
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-5H-phenazine-2,7-diol?
The IUPAC name of 3,10-dimethyl-5H-phenazine-2,7-diol (CID 19996284) is 3,10-dimethyl-5H-phenazine-2,7-diol.
What is the SMILES notation for 3,10-dimethyl-5H-phenazine-2,7-diol?
The canonical SMILES for 3,10-dimethyl-5H-phenazine-2,7-diol is Cc1cc2c(cc1O)N(C)c1ccc(O)cc1N2.
What is the InChIKey of 3,10-dimethyl-5H-phenazine-2,7-diol?
The InChIKey is TUOBEIDLHAUUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-5-10-13(7-14(8)18)16(2)12-4-3-9(17)6-11(12)15-10/h3-7,15,17-18H,1-2H3.
What are the key properties of 3,10-dimethyl-5H-phenazine-2,7-diol?
3,10-dimethyl-5H-phenazine-2,7-diol has a molecular weight of 242.28 g/mol, XLogP of 3.23, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethyl-5H-phenazine-2,7-diol is sourced from PubChem (CID 19996284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).