1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone

C12H16O3S — CID 116748642

IUPAC1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone
SMILESCOC1(C(=O)Cc2ccsc2)CCOCC1
InChIInChI=1S/C12H16O3S/c1-14-12(3-5-15-6-4-12)11(13)8-10-2-7-16-9-10/h2,7,9H,3-6,8H2,1H3
InChIKeyMJCOBOBQEKKNDF-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.06
Rot. Bonds4

About 1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone

1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone (PubChem CID 116748642) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone
PubChem CID116748642
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone
SMILESCOC1(C(=O)Cc2ccsc2)CCOCC1
InChIInChI=1S/C12H16O3S/c1-14-12(3-5-15-6-4-12)11(13)8-10-2-7-16-9-10/h2,7,9H,3-6,8H2,1H3
InChIKeyMJCOBOBQEKKNDF-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone 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-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone (CID 116748642) is 1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone is COC1(C(=O)Cc2ccsc2)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone?
The InChIKey is MJCOBOBQEKKNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c1-14-12(3-5-15-6-4-12)11(13)8-10-2-7-16-9-10/h2,7,9H,3-6,8H2,1H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone?
1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone has a molecular weight of 240.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 116748642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).