2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one

C13H10O2S — CID 53483991

IUPAC2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(c2csc3ccccc23)O1
InChIInChI=1S/C13H10O2S/c14-13-7-3-5-11(15-13)10-8-16-12-6-2-1-4-9(10)12/h1-4,6-8,11H,5H2
InChIKeyXIFKGWHFCVSLMU-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.45
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one

2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one (PubChem CID 53483991) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one
PubChem CID53483991
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(c2csc3ccccc23)O1
InChIInChI=1S/C13H10O2S/c14-13-7-3-5-11(15-13)10-8-16-12-6-2-1-4-9(10)12/h1-4,6-8,11H,5H2
InChIKeyXIFKGWHFCVSLMU-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one 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 2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one (CID 53483991) is 2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one is O=C1C=CCC(c2csc3ccccc23)O1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one?
The InChIKey is XIFKGWHFCVSLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S/c14-13-7-3-5-11(15-13)10-8-16-12-6-2-1-4-9(10)12/h1-4,6-8,11H,5H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one?
2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one has a molecular weight of 230.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 53483991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).