1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol

C7H12O4S — CID 102654014

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)C1=CCCO1
InChIInChI=1S/C7H12O4S/c1-12(9,10)5-6(8)7-3-2-4-11-7/h3,6,8H,2,4-5H2,1H3
InChIKeyXJRJLFPLKYDYHW-UHFFFAOYSA-N
MW192.24 g/mol
LogP-0.30
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol

1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol (PubChem CID 102654014) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol
PubChem CID102654014
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)C1=CCCO1
InChIInChI=1S/C7H12O4S/c1-12(9,10)5-6(8)7-3-2-4-11-7/h3,6,8H,2,4-5H2,1H3
InChIKeyXJRJLFPLKYDYHW-UHFFFAOYSA-N
XLogP-0.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol (CID 102654014) is 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol?
The InChIKey is XJRJLFPLKYDYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S/c1-12(9,10)5-6(8)7-3-2-4-11-7/h3,6,8H,2,4-5H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol?
1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol has a molecular weight of 192.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol is sourced from PubChem (CID 102654014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).