1-(10,10-dioxophenoxathiin-2-yl)ethanol

C14H12O4S — CID 515171

IUPAC1-(10,10-dioxophenoxathiin-2-yl)ethanol
SMILESCC(O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H12O4S/c1-9(15)10-6-7-12-14(8-10)19(16,17)13-5-3-2-4-11(13)18-12/h2-9,15H,1H3
InChIKeyCNBXNOMIYWIOAD-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.68
Rot. Bonds1

About 1-(10,10-dioxophenoxathiin-2-yl)ethanol

1-(10,10-dioxophenoxathiin-2-yl)ethanol (PubChem CID 515171) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(10,10-dioxophenoxathiin-2-yl)ethanol.

Molecular Properties

Compound Name1-(10,10-dioxophenoxathiin-2-yl)ethanol
PubChem CID515171
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name1-(10,10-dioxophenoxathiin-2-yl)ethanol
SMILESCC(O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H12O4S/c1-9(15)10-6-7-12-14(8-10)19(16,17)13-5-3-2-4-11(13)18-12/h2-9,15H,1H3
InChIKeyCNBXNOMIYWIOAD-UHFFFAOYSA-N
XLogP2.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(10,10-dioxophenoxathiin-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(10,10-dioxophenoxathiin-2-yl)ethanol?
The IUPAC name of 1-(10,10-dioxophenoxathiin-2-yl)ethanol (CID 515171) is 1-(10,10-dioxophenoxathiin-2-yl)ethanol.
What is the SMILES notation for 1-(10,10-dioxophenoxathiin-2-yl)ethanol?
The canonical SMILES for 1-(10,10-dioxophenoxathiin-2-yl)ethanol is CC(O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 1-(10,10-dioxophenoxathiin-2-yl)ethanol?
The InChIKey is CNBXNOMIYWIOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4S/c1-9(15)10-6-7-12-14(8-10)19(16,17)13-5-3-2-4-11(13)18-12/h2-9,15H,1H3.
What are the key properties of 1-(10,10-dioxophenoxathiin-2-yl)ethanol?
1-(10,10-dioxophenoxathiin-2-yl)ethanol has a molecular weight of 276.31 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,10-dioxophenoxathiin-2-yl)ethanol is sourced from PubChem (CID 515171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).