(5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol

C9H12O3S — CID 58766157

IUPAC(5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol
SMILESCc1sc(C)c2c1OCC(CO)O2
InChIInChI=1S/C9H12O3S/c1-5-8-9(6(2)13-5)12-7(3-10)4-11-8/h7,10H,3-4H2,1-2H3
InChIKeyXTKNILDRYXJIFN-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.50
Rot. Bonds1

About (5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol

(5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol (PubChem CID 58766157) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is (5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol.

Molecular Properties

Compound Name(5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol
PubChem CID58766157
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name(5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol
SMILESCc1sc(C)c2c1OCC(CO)O2
InChIInChI=1S/C9H12O3S/c1-5-8-9(6(2)13-5)12-7(3-10)4-11-8/h7,10H,3-4H2,1-2H3
InChIKeyXTKNILDRYXJIFN-UHFFFAOYSA-N
XLogP1.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol?
The IUPAC name of (5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol (CID 58766157) is (5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol.
What is the SMILES notation for (5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol?
The canonical SMILES for (5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol is Cc1sc(C)c2c1OCC(CO)O2.
What is the InChIKey of (5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol?
The InChIKey is XTKNILDRYXJIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-5-8-9(6(2)13-5)12-7(3-10)4-11-8/h7,10H,3-4H2,1-2H3.
What are the key properties of (5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol?
(5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol has a molecular weight of 200.26 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol is sourced from PubChem (CID 58766157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).