2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol

C8H11ClO4S — CID 117240446

IUPAC2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol
SMILESCS(=O)(=O)CC(CO)c1ccc(Cl)o1
InChIInChI=1S/C8H11ClO4S/c1-14(11,12)5-6(4-10)7-2-3-8(9)13-7/h2-3,6,10H,4-5H2,1H3
InChIKeyZBIRZNDVMLCEDL-UHFFFAOYSA-N
MW238.69 g/mol
LogP1.05
Rot. Bonds4

About 2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol

2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol (PubChem CID 117240446) has the molecular formula C8H11ClO4S and a molecular weight of 238.69 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol
PubChem CID117240446
Molecular FormulaC8H11ClO4S
Molecular Weight238.69 g/mol
Exact Mass238.01
IUPAC Name2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol
SMILESCS(=O)(=O)CC(CO)c1ccc(Cl)o1
InChIInChI=1S/C8H11ClO4S/c1-14(11,12)5-6(4-10)7-2-3-8(9)13-7/h2-3,6,10H,4-5H2,1H3
InChIKeyZBIRZNDVMLCEDL-UHFFFAOYSA-N
XLogP1.05
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol?
The IUPAC name of 2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol (CID 117240446) is 2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol is CS(=O)(=O)CC(CO)c1ccc(Cl)o1.
What is the InChIKey of 2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol?
The InChIKey is ZBIRZNDVMLCEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO4S/c1-14(11,12)5-6(4-10)7-2-3-8(9)13-7/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol?
2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol has a molecular weight of 238.69 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)-3-methylsulfonylpropan-1-ol is sourced from PubChem (CID 117240446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).