2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol

C12H16O3S — CID 57038862

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol
SMILESCS(=O)(=O)C(O)CC1Cc2ccccc2C1
InChIInChI=1S/C12H16O3S/c1-16(14,15)12(13)8-9-6-10-4-2-3-5-11(10)7-9/h2-5,9,12-13H,6-8H2,1H3
InChIKeySJBGVHMHTPMZBG-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.15
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol

2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol (PubChem CID 57038862) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol
PubChem CID57038862
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol
SMILESCS(=O)(=O)C(O)CC1Cc2ccccc2C1
InChIInChI=1S/C12H16O3S/c1-16(14,15)12(13)8-9-6-10-4-2-3-5-11(10)7-9/h2-5,9,12-13H,6-8H2,1H3
InChIKeySJBGVHMHTPMZBG-UHFFFAOYSA-N
XLogP1.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol (CID 57038862) is 2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol is CS(=O)(=O)C(O)CC1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol?
The InChIKey is SJBGVHMHTPMZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c1-16(14,15)12(13)8-9-6-10-4-2-3-5-11(10)7-9/h2-5,9,12-13H,6-8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol?
2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol has a molecular weight of 240.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-1-methylsulfonylethanol is sourced from PubChem (CID 57038862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).