(4-ethoxyphenyl)-thiophen-2-ylmethanone

C13H12O2S — CID 2899679

IUPAC(4-ethoxyphenyl)-thiophen-2-ylmethanone
SMILESCCOc1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C13H12O2S/c1-2-15-11-7-5-10(6-8-11)13(14)12-4-3-9-16-12/h3-9H,2H2,1H3
InChIKeyXSTBTGLUKMXRRR-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.38
Rot. Bonds4

About (4-ethoxyphenyl)-thiophen-2-ylmethanone

(4-ethoxyphenyl)-thiophen-2-ylmethanone (PubChem CID 2899679) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is (4-ethoxyphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-thiophen-2-ylmethanone
PubChem CID2899679
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name(4-ethoxyphenyl)-thiophen-2-ylmethanone
SMILESCCOc1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C13H12O2S/c1-2-15-11-7-5-10(6-8-11)13(14)12-4-3-9-16-12/h3-9H,2H2,1H3
InChIKeyXSTBTGLUKMXRRR-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethoxyphenyl)-thiophen-2-ylmethanone 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 (4-ethoxyphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (4-ethoxyphenyl)-thiophen-2-ylmethanone (CID 2899679) is (4-ethoxyphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-ethoxyphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-ethoxyphenyl)-thiophen-2-ylmethanone is CCOc1ccc(C(=O)c2cccs2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-thiophen-2-ylmethanone?
The InChIKey is XSTBTGLUKMXRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-2-15-11-7-5-10(6-8-11)13(14)12-4-3-9-16-12/h3-9H,2H2,1H3.
What are the key properties of (4-ethoxyphenyl)-thiophen-2-ylmethanone?
(4-ethoxyphenyl)-thiophen-2-ylmethanone has a molecular weight of 232.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 2899679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).