2-(5,5-dioxophenothiazin-10-yl)phenol

C18H13NO3S — CID 59609598

IUPAC2-(5,5-dioxophenothiazin-10-yl)phenol
SMILESO=S1(=O)c2ccccc2N(c2ccccc2O)c2ccccc21
InChIInChI=1S/C18H13NO3S/c20-16-10-4-1-7-13(16)19-14-8-2-5-11-17(14)23(21,22)18-12-6-3-9-15(18)19/h1-12,20H
InChIKeyGVYKXBVJMIODCH-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.01
Rot. Bonds1

About 2-(5,5-dioxophenothiazin-10-yl)phenol

2-(5,5-dioxophenothiazin-10-yl)phenol (PubChem CID 59609598) has the molecular formula C18H13NO3S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(5,5-dioxophenothiazin-10-yl)phenol.

Molecular Properties

Compound Name2-(5,5-dioxophenothiazin-10-yl)phenol
PubChem CID59609598
Molecular FormulaC18H13NO3S
Molecular Weight323.37 g/mol
Exact Mass323.06
IUPAC Name2-(5,5-dioxophenothiazin-10-yl)phenol
SMILESO=S1(=O)c2ccccc2N(c2ccccc2O)c2ccccc21
InChIInChI=1S/C18H13NO3S/c20-16-10-4-1-7-13(16)19-14-8-2-5-11-17(14)23(21,22)18-12-6-3-9-15(18)19/h1-12,20H
InChIKeyGVYKXBVJMIODCH-UHFFFAOYSA-N
XLogP4.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dioxophenothiazin-10-yl)phenol?
The IUPAC name of 2-(5,5-dioxophenothiazin-10-yl)phenol (CID 59609598) is 2-(5,5-dioxophenothiazin-10-yl)phenol.
What is the SMILES notation for 2-(5,5-dioxophenothiazin-10-yl)phenol?
The canonical SMILES for 2-(5,5-dioxophenothiazin-10-yl)phenol is O=S1(=O)c2ccccc2N(c2ccccc2O)c2ccccc21.
What is the InChIKey of 2-(5,5-dioxophenothiazin-10-yl)phenol?
The InChIKey is GVYKXBVJMIODCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3S/c20-16-10-4-1-7-13(16)19-14-8-2-5-11-17(14)23(21,22)18-12-6-3-9-15(18)19/h1-12,20H.
What are the key properties of 2-(5,5-dioxophenothiazin-10-yl)phenol?
2-(5,5-dioxophenothiazin-10-yl)phenol has a molecular weight of 323.37 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dioxophenothiazin-10-yl)phenol is sourced from PubChem (CID 59609598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).