1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol

C11H14O5S — CID 55110743

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H14O5S/c1-17(13,14)7-9(12)8-2-3-10-11(6-8)16-5-4-15-10/h2-3,6,9,12H,4-5,7H2,1H3
InChIKeySQMVMLZLYZGTET-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.54
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol (PubChem CID 55110743) has the molecular formula C11H14O5S and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol
PubChem CID55110743
Molecular FormulaC11H14O5S
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H14O5S/c1-17(13,14)7-9(12)8-2-3-10-11(6-8)16-5-4-15-10/h2-3,6,9,12H,4-5,7H2,1H3
InChIKeySQMVMLZLYZGTET-UHFFFAOYSA-N
XLogP0.54
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol
CID 112733979
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylpropan-1-ol
CID 113422307
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
1-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diol
CID 45122033
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]methanesulfonamide
CID 110371412
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylphenyl)ethanol
CID 62792009
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
(1S)-1-[24-[(1S)-1-hydroxynonyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]nonan-1-ol
CID 98159723
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol
CID 155152100
1-(3,4-diethylphenyl)-2-methylsulfonylethanol
CID 113319164
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanol
CID 63964682

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol (CID 55110743) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol?
The InChIKey is SQMVMLZLYZGTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5S/c1-17(13,14)7-9(12)8-2-3-10-11(6-8)16-5-4-15-10/h2-3,6,9,12H,4-5,7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol has a molecular weight of 258.29 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol is sourced from PubChem (CID 55110743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).