2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol

C10H10O4S — CID 117197036

IUPAC2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol
SMILESCC(O)C1=Cc2cccc(O)c2S1(=O)=O
InChIInChI=1S/C10H10O4S/c1-6(11)9-5-7-3-2-4-8(12)10(7)15(9,13)14/h2-6,11-12H,1H3
InChIKeyCRPHLWYJGZLXNK-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.90
Rot. Bonds1

About 2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol

2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol (PubChem CID 117197036) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol
PubChem CID117197036
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Name2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol
SMILESCC(O)C1=Cc2cccc(O)c2S1(=O)=O
InChIInChI=1S/C10H10O4S/c1-6(11)9-5-7-3-2-4-8(12)10(7)15(9,13)14/h2-6,11-12H,1H3
InChIKeyCRPHLWYJGZLXNK-UHFFFAOYSA-N
XLogP0.90
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-hydroxy-1,1-dioxo-1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117197066
1-(4-methoxy-1,1-dioxo-1-benzothiophen-2-yl)ethanol
CID 117120225
2-(2-methyl-1,1-dioxo-1-benzothiophen-7-yl)propanoic acid
CID 117205198
1,1-dioxo-2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-ol
CID 117183065
1-(7-bromo-1,1-dioxo-1-benzothiophen-2-yl)ethanone
CID 117196747
2-(1-hydroxyethyl)-3-methylsulfonylphenol
CID 117308118
benzene-1,2-diol;propan-2-ol
CID 144664669
2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine
CID 117120125
1-(7-fluoro-1,1-dioxo-1-benzothiophen-2-yl)ethanone
CID 117196743
1,1-dioxo-2-[(propan-2-ylamino)methyl]-1-benzothiophene-7-carboxylic acid
CID 117183135
1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1-benzothiophen-7-amine
CID 117183075
2-[(1S,2R)-2-amino-1-hydroxypropyl]benzene-1,3-diol
CID 130806183

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol?
The IUPAC name of 2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol (CID 117197036) is 2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol.
What is the SMILES notation for 2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol?
The canonical SMILES for 2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol is CC(O)C1=Cc2cccc(O)c2S1(=O)=O.
What is the InChIKey of 2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol?
The InChIKey is CRPHLWYJGZLXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S/c1-6(11)9-5-7-3-2-4-8(12)10(7)15(9,13)14/h2-6,11-12H,1H3.
What are the key properties of 2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol?
2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol has a molecular weight of 226.25 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol is sourced from PubChem (CID 117197036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).