2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol

C10H11ClO3S — CID 117200901

IUPAC2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol
SMILESO=S1(=O)c2ccc(Cl)cc2CC1CCO
InChIInChI=1S/C10H11ClO3S/c11-8-1-2-10-7(5-8)6-9(3-4-12)15(10,13)14/h1-2,5,9,12H,3-4,6H2
InChIKeyQYKJDAYKSBOEQQ-UHFFFAOYSA-N
MW246.71 g/mol
LogP1.42
Rot. Bonds2

About 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol

2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol (PubChem CID 117200901) has the molecular formula C10H11ClO3S and a molecular weight of 246.71 g/mol. Its IUPAC name is 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol
PubChem CID117200901
Molecular FormulaC10H11ClO3S
Molecular Weight246.71 g/mol
Exact Mass246.01
IUPAC Name2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol
SMILESO=S1(=O)c2ccc(Cl)cc2CC1CCO
InChIInChI=1S/C10H11ClO3S/c11-8-1-2-10-7(5-8)6-9(3-4-12)15(10,13)14/h1-2,5,9,12H,3-4,6H2
InChIKeyQYKJDAYKSBOEQQ-UHFFFAOYSA-N
XLogP1.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol (CID 117200901) is 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol is O=S1(=O)c2ccc(Cl)cc2CC1CCO.
What is the InChIKey of 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The InChIKey is QYKJDAYKSBOEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3S/c11-8-1-2-10-7(5-8)6-9(3-4-12)15(10,13)14/h1-2,5,9,12H,3-4,6H2.
What are the key properties of 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol?
2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol has a molecular weight of 246.71 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 117200901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).