1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol

C7H12O4S — CID 130580033

IUPAC1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)C1=COCC1
InChIInChI=1S/C7H12O4S/c1-12(9,10)5-7(8)6-2-3-11-4-6/h4,7-8H,2-3,5H2,1H3
InChIKeyUYODEVWEBNCGHP-UHFFFAOYSA-N
MW192.24 g/mol
LogP-0.30
Rot. Bonds3

About 1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol

1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol (PubChem CID 130580033) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol
PubChem CID130580033
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)C1=COCC1
InChIInChI=1S/C7H12O4S/c1-12(9,10)5-7(8)6-2-3-11-4-6/h4,7-8H,2-3,5H2,1H3
InChIKeyUYODEVWEBNCGHP-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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Related Compounds

1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol
CID 102654014
1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol
CID 130580072
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol
CID 55110743
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 105033154
1-(2,3-dihydrofuran-4-yl)-3-methylbutan-1-amine
CID 130579422
1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol
CID 116504683
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethanol
CID 79597388
1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol
CID 115622254
1-(3-cyclobutylphenyl)-2-methylsulfonylethanol
CID 115839105
2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol
CID 130752198
1-(3,4-diethylphenyl)-2-methylsulfonylethanol
CID 113319164
1-(2,3-dimethylphenyl)-2-methylsulfonylethanol
CID 115601467

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol (CID 130580033) is 1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol?
The InChIKey is UYODEVWEBNCGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S/c1-12(9,10)5-7(8)6-2-3-11-4-6/h4,7-8H,2-3,5H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2-methylsulfonylethanol?
1-(2,3-dihydrofuran-4-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-4-yl)-2-methylsulfonylethanol is sourced from PubChem (CID 130580033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).