(10,10-dioxophenoxathiin-1-yl)methanol

C13H10O4S — CID 10753933

IUPAC(10,10-dioxophenoxathiin-1-yl)methanol
SMILESO=S1(=O)c2ccccc2Oc2cccc(CO)c21
InChIInChI=1S/C13H10O4S/c14-8-9-4-3-6-11-13(9)18(15,16)12-7-2-1-5-10(12)17-11/h1-7,14H,8H2
InChIKeyDFJCURDMUJFFHQ-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.12
Rot. Bonds1

About (10,10-dioxophenoxathiin-1-yl)methanol

(10,10-dioxophenoxathiin-1-yl)methanol (PubChem CID 10753933) has the molecular formula C13H10O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is (10,10-dioxophenoxathiin-1-yl)methanol.

Molecular Properties

Compound Name(10,10-dioxophenoxathiin-1-yl)methanol
PubChem CID10753933
Molecular FormulaC13H10O4S
Molecular Weight262.29 g/mol
Exact Mass262.03
IUPAC Name(10,10-dioxophenoxathiin-1-yl)methanol
SMILESO=S1(=O)c2ccccc2Oc2cccc(CO)c21
InChIInChI=1S/C13H10O4S/c14-8-9-4-3-6-11-13(9)18(15,16)12-7-2-1-5-10(12)17-11/h1-7,14H,8H2
InChIKeyDFJCURDMUJFFHQ-UHFFFAOYSA-N
XLogP2.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10,10-dioxophenoxathiin-1-yl)methanol?
The IUPAC name of (10,10-dioxophenoxathiin-1-yl)methanol (CID 10753933) is (10,10-dioxophenoxathiin-1-yl)methanol.
What is the SMILES notation for (10,10-dioxophenoxathiin-1-yl)methanol?
The canonical SMILES for (10,10-dioxophenoxathiin-1-yl)methanol is O=S1(=O)c2ccccc2Oc2cccc(CO)c21.
What is the InChIKey of (10,10-dioxophenoxathiin-1-yl)methanol?
The InChIKey is DFJCURDMUJFFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4S/c14-8-9-4-3-6-11-13(9)18(15,16)12-7-2-1-5-10(12)17-11/h1-7,14H,8H2.
What are the key properties of (10,10-dioxophenoxathiin-1-yl)methanol?
(10,10-dioxophenoxathiin-1-yl)methanol has a molecular weight of 262.29 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10,10-dioxophenoxathiin-1-yl)methanol is sourced from PubChem (CID 10753933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).