[2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol

C12H15FO5S — CID 102567461

IUPAC[2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESCS(=O)(=O)CC1(c2cccc(F)c2)OCC(CO)O1
InChIInChI=1S/C12H15FO5S/c1-19(15,16)8-12(17-7-11(6-14)18-12)9-3-2-4-10(13)5-9/h2-5,11,14H,6-8H2,1H3
InChIKeyJUWKGVRTDIILTA-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.43
Rot. Bonds4

About [2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol

[2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 102567461) has the molecular formula C12H15FO5S and a molecular weight of 290.31 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
PubChem CID102567461
Molecular FormulaC12H15FO5S
Molecular Weight290.31 g/mol
Exact Mass290.06
IUPAC Name[2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESCS(=O)(=O)CC1(c2cccc(F)c2)OCC(CO)O1
InChIInChI=1S/C12H15FO5S/c1-19(15,16)8-12(17-7-11(6-14)18-12)9-3-2-4-10(13)5-9/h2-5,11,14H,6-8H2,1H3
InChIKeyJUWKGVRTDIILTA-UHFFFAOYSA-N
XLogP0.43
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol (CID 102567461) is [2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol is CS(=O)(=O)CC1(c2cccc(F)c2)OCC(CO)O1.
What is the InChIKey of [2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is JUWKGVRTDIILTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO5S/c1-19(15,16)8-12(17-7-11(6-14)18-12)9-3-2-4-10(13)5-9/h2-5,11,14H,6-8H2,1H3.
What are the key properties of [2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol?
[2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 290.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 102567461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).