2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol

C11H14O5S — CID 117399289

IUPAC2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
SMILESCS(=O)(=O)c1cc2c(cc1CCO)OCCO2
InChIInChI=1S/C11H14O5S/c1-17(13,14)11-7-10-9(15-4-5-16-10)6-8(11)2-3-12/h6-7,12H,2-5H2,1H3
InChIKeyFUCPOWITMTWPNG-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.40
Rot. Bonds3

About 2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol

2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol (PubChem CID 117399289) has the molecular formula C11H14O5S and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol.

Molecular Properties

Compound Name2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
PubChem CID117399289
Molecular FormulaC11H14O5S
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC Name2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
SMILESCS(=O)(=O)c1cc2c(cc1CCO)OCCO2
InChIInChI=1S/C11H14O5S/c1-17(13,14)11-7-10-9(15-4-5-16-10)6-8(11)2-3-12/h6-7,12H,2-5H2,1H3
InChIKeyFUCPOWITMTWPNG-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methylsulfonyl-1,3-benzodioxol-5-yl)propanoic acid
CID 117433317
2-amino-1-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117435638
2-[7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]ethanol
CID 117398994
4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol
CID 117340042
2-amino-1-(6-methylsulfonyl-1,3-benzodioxol-5-yl)ethanol
CID 117401516
3-[6-(2-hydroxyethyl)-1,3-benzodioxol-5-yl]propan-1-ol
CID 91665287
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 84687648
2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol
CID 117279735
2-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-ol
CID 117379576
7-(ethylsulfonylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43444653
[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
CID 84693364
7-(3-amino-2-chloro-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride
CID 10991428

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The IUPAC name of 2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol (CID 117399289) is 2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol.
What is the SMILES notation for 2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The canonical SMILES for 2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol is CS(=O)(=O)c1cc2c(cc1CCO)OCCO2.
What is the InChIKey of 2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The InChIKey is FUCPOWITMTWPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5S/c1-17(13,14)11-7-10-9(15-4-5-16-10)6-8(11)2-3-12/h6-7,12H,2-5H2,1H3.
What are the key properties of 2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol has a molecular weight of 258.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol is sourced from PubChem (CID 117399289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).