2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol

C13H16O4S — CID 125472000

IUPAC2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol
SMILESCc1csc2cc(OCCO)c(OCCO)cc12
InChIInChI=1S/C13H16O4S/c1-9-8-18-13-7-12(17-5-3-15)11(6-10(9)13)16-4-2-14/h6-8,14-15H,2-5H2,1H3
InChIKeyIXPUJMJVDXAEHC-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.95
Rot. Bonds6

About 2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol

2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol (PubChem CID 125472000) has the molecular formula C13H16O4S and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol
PubChem CID125472000
Molecular FormulaC13H16O4S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol
SMILESCc1csc2cc(OCCO)c(OCCO)cc12
InChIInChI=1S/C13H16O4S/c1-9-8-18-13-7-12(17-5-3-15)11(6-10(9)13)16-4-2-14/h6-8,14-15H,2-5H2,1H3
InChIKeyIXPUJMJVDXAEHC-UHFFFAOYSA-N
XLogP1.95
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol?
The IUPAC name of 2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol (CID 125472000) is 2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol.
What is the SMILES notation for 2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol?
The canonical SMILES for 2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol is Cc1csc2cc(OCCO)c(OCCO)cc12.
What is the InChIKey of 2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol?
The InChIKey is IXPUJMJVDXAEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4S/c1-9-8-18-13-7-12(17-5-3-15)11(6-10(9)13)16-4-2-14/h6-8,14-15H,2-5H2,1H3.
What are the key properties of 2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol?
2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol has a molecular weight of 268.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-hydroxyethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]ethanol is sourced from PubChem (CID 125472000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).