2-(1-benzothiophen-3-yl)ethanol

C10H10OS — CID 15852206

IUPAC2-(1-benzothiophen-3-yl)ethanol
SMILESOCCc1csc2ccccc12
InChIInChI=1S/C10H10OS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2
InChIKeyKROWMGNXBZCMQB-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.44
Rot. Bonds2

About 2-(1-benzothiophen-3-yl)ethanol

2-(1-benzothiophen-3-yl)ethanol (PubChem CID 15852206) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)ethanol
PubChem CID15852206
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name2-(1-benzothiophen-3-yl)ethanol
SMILESOCCc1csc2ccccc12
InChIInChI=1S/C10H10OS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2
InChIKeyKROWMGNXBZCMQB-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)ethanol (CID 15852206) is 2-(1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)ethanol is OCCc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)ethanol?
The InChIKey is KROWMGNXBZCMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2.
What are the key properties of 2-(1-benzothiophen-3-yl)ethanol?
2-(1-benzothiophen-3-yl)ethanol has a molecular weight of 178.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 15852206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).