1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone

C14H14O2S — CID 116708929

IUPAC1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone
SMILESCOC(C(=O)c1cccc2ccsc12)C1CC1
InChIInChI=1S/C14H14O2S/c1-16-13(9-5-6-9)12(15)11-4-2-3-10-7-8-17-14(10)11/h2-4,7-9,13H,5-6H2,1H3
InChIKeyZEGVZSATLOLHPT-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.51
Rot. Bonds4

About 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone

1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone (PubChem CID 116708929) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone
PubChem CID116708929
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone
SMILESCOC(C(=O)c1cccc2ccsc12)C1CC1
InChIInChI=1S/C14H14O2S/c1-16-13(9-5-6-9)12(15)11-4-2-3-10-7-8-17-14(10)11/h2-4,7-9,13H,5-6H2,1H3
InChIKeyZEGVZSATLOLHPT-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone (CID 116708929) is 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone is COC(C(=O)c1cccc2ccsc12)C1CC1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone?
The InChIKey is ZEGVZSATLOLHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-16-13(9-5-6-9)12(15)11-4-2-3-10-7-8-17-14(10)11/h2-4,7-9,13H,5-6H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone?
1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone has a molecular weight of 246.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-methoxyethanone is sourced from PubChem (CID 116708929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).