2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone

C17H20OS — CID 65409096

IUPAC2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone
SMILESCCC1CCC(C(=O)Cc2csc3ccccc23)C1
InChIInChI=1S/C17H20OS/c1-2-12-7-8-13(9-12)16(18)10-14-11-19-17-6-4-3-5-15(14)17/h3-6,11-13H,2,7-10H2,1H3
InChIKeyBDKCNJMJWMXQBD-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.84
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone

2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone (PubChem CID 65409096) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone
PubChem CID65409096
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone
SMILESCCC1CCC(C(=O)Cc2csc3ccccc23)C1
InChIInChI=1S/C17H20OS/c1-2-12-7-8-13(9-12)16(18)10-14-11-19-17-6-4-3-5-15(14)17/h3-6,11-13H,2,7-10H2,1H3
InChIKeyBDKCNJMJWMXQBD-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone (CID 65409096) is 2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone is CCC1CCC(C(=O)Cc2csc3ccccc23)C1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone?
The InChIKey is BDKCNJMJWMXQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-2-12-7-8-13(9-12)16(18)10-14-11-19-17-6-4-3-5-15(14)17/h3-6,11-13H,2,7-10H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone?
2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone has a molecular weight of 272.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone is sourced from PubChem (CID 65409096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).