[6-(hydroxymethyl)phenazin-1-yl]methanol

C14H12N2O2 — CID 44607162

IUPAC[6-(hydroxymethyl)phenazin-1-yl]methanol
SMILESOCc1cccc2nc3c(CO)cccc3nc12
InChIInChI=1S/C14H12N2O2/c17-7-9-3-1-5-11-13(9)16-12-6-2-4-10(8-18)14(12)15-11/h1-6,17-18H,7-8H2
InChIKeyWFYLTIMBLPIRRU-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.77
Rot. Bonds2

About [6-(hydroxymethyl)phenazin-1-yl]methanol

[6-(hydroxymethyl)phenazin-1-yl]methanol (PubChem CID 44607162) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is [6-(hydroxymethyl)phenazin-1-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)phenazin-1-yl]methanol
PubChem CID44607162
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name[6-(hydroxymethyl)phenazin-1-yl]methanol
SMILESOCc1cccc2nc3c(CO)cccc3nc12
InChIInChI=1S/C14H12N2O2/c17-7-9-3-1-5-11-13(9)16-12-6-2-4-10(8-18)14(12)15-11/h1-6,17-18H,7-8H2
InChIKeyWFYLTIMBLPIRRU-UHFFFAOYSA-N
XLogP1.77
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)phenazin-1-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)phenazin-1-yl]methanol (CID 44607162) is [6-(hydroxymethyl)phenazin-1-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)phenazin-1-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)phenazin-1-yl]methanol is OCc1cccc2nc3c(CO)cccc3nc12.
What is the InChIKey of [6-(hydroxymethyl)phenazin-1-yl]methanol?
The InChIKey is WFYLTIMBLPIRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-7-9-3-1-5-11-13(9)16-12-6-2-4-10(8-18)14(12)15-11/h1-6,17-18H,7-8H2.
What are the key properties of [6-(hydroxymethyl)phenazin-1-yl]methanol?
[6-(hydroxymethyl)phenazin-1-yl]methanol has a molecular weight of 240.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)phenazin-1-yl]methanol is sourced from PubChem (CID 44607162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).