2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol

C10H14OS — CID 67258087

IUPAC2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol
SMILESOCCc1csc2c1CCCC2
InChIInChI=1S/C10H14OS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h7,11H,1-6H2
InChIKeyOJKAJJJGSHQYTR-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.16
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol

2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol (PubChem CID 67258087) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol
PubChem CID67258087
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol
SMILESOCCc1csc2c1CCCC2
InChIInChI=1S/C10H14OS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h7,11H,1-6H2
InChIKeyOJKAJJJGSHQYTR-UHFFFAOYSA-N
XLogP2.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol (CID 67258087) is 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol is OCCc1csc2c1CCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol?
The InChIKey is OJKAJJJGSHQYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h7,11H,1-6H2.
What are the key properties of 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol?
2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol has a molecular weight of 182.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 67258087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).