[4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol

C13H17FO4S — CID 156862823

IUPAC[4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol
SMILESCS(=O)(=O)CCOc1cc(F)c2c(c1)CC(CO)C2
InChIInChI=1S/C13H17FO4S/c1-19(16,17)3-2-18-11-6-10-4-9(8-15)5-12(10)13(14)7-11/h6-7,9,15H,2-5,8H2,1H3
InChIKeyISIMDIFTJCCWLJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.96
Rot. Bonds5

About [4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol

[4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol (PubChem CID 156862823) has the molecular formula C13H17FO4S and a molecular weight of 288.34 g/mol. Its IUPAC name is [4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol
PubChem CID156862823
Molecular FormulaC13H17FO4S
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name[4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol
SMILESCS(=O)(=O)CCOc1cc(F)c2c(c1)CC(CO)C2
InChIInChI=1S/C13H17FO4S/c1-19(16,17)3-2-18-11-6-10-4-9(8-15)5-12(10)13(14)7-11/h6-7,9,15H,2-5,8H2,1H3
InChIKeyISIMDIFTJCCWLJ-UHFFFAOYSA-N
XLogP0.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol?
The IUPAC name of [4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol (CID 156862823) is [4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol.
What is the SMILES notation for [4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol?
The canonical SMILES for [4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol is CS(=O)(=O)CCOc1cc(F)c2c(c1)CC(CO)C2.
What is the InChIKey of [4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol?
The InChIKey is ISIMDIFTJCCWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO4S/c1-19(16,17)3-2-18-11-6-10-4-9(8-15)5-12(10)13(14)7-11/h6-7,9,15H,2-5,8H2,1H3.
What are the key properties of [4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol?
[4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol has a molecular weight of 288.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-6-(2-methylsulfonylethoxy)-2,3-dihydro-1H-inden-2-yl]methanol is sourced from PubChem (CID 156862823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).