phenazin-1-ylmethanediol

C13H10N2O2 — CID 130468741

IUPACphenazin-1-ylmethanediol
SMILESOC(O)c1cccc2nc3ccccc3nc12
InChIInChI=1S/C13H10N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7,13,16-17H
InChIKeyKLKWTHDCLSFHCI-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.77
Rot. Bonds1

About phenazin-1-ylmethanediol

phenazin-1-ylmethanediol (PubChem CID 130468741) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is phenazin-1-ylmethanediol.

Molecular Properties

Compound Namephenazin-1-ylmethanediol
PubChem CID130468741
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Namephenazin-1-ylmethanediol
SMILESOC(O)c1cccc2nc3ccccc3nc12
InChIInChI=1S/C13H10N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7,13,16-17H
InChIKeyKLKWTHDCLSFHCI-UHFFFAOYSA-N
XLogP1.77
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 phenazin-1-ylmethanediol?
The IUPAC name of phenazin-1-ylmethanediol (CID 130468741) is phenazin-1-ylmethanediol.
What is the SMILES notation for phenazin-1-ylmethanediol?
The canonical SMILES for phenazin-1-ylmethanediol is OC(O)c1cccc2nc3ccccc3nc12.
What is the InChIKey of phenazin-1-ylmethanediol?
The InChIKey is KLKWTHDCLSFHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7,13,16-17H.
What are the key properties of phenazin-1-ylmethanediol?
phenazin-1-ylmethanediol has a molecular weight of 226.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenazin-1-ylmethanediol is sourced from PubChem (CID 130468741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).