4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one

C12H18O3S — CID 103024455

IUPAC4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one
SMILESCOc1ccsc1C(=O)CCC(C)(C)OC
InChIInChI=1S/C12H18O3S/c1-12(2,15-4)7-5-9(13)11-10(14-3)6-8-16-11/h6,8H,5,7H2,1-4H3
InChIKeyNTEIKWSGFYJMJW-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.14
Rot. Bonds6

About 4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one

4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one (PubChem CID 103024455) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one
PubChem CID103024455
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one
SMILESCOc1ccsc1C(=O)CCC(C)(C)OC
InChIInChI=1S/C12H18O3S/c1-12(2,15-4)7-5-9(13)11-10(14-3)6-8-16-11/h6,8H,5,7H2,1-4H3
InChIKeyNTEIKWSGFYJMJW-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-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 4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one?
The IUPAC name of 4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one (CID 103024455) is 4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one.
What is the SMILES notation for 4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one?
The canonical SMILES for 4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one is COc1ccsc1C(=O)CCC(C)(C)OC.
What is the InChIKey of 4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one?
The InChIKey is NTEIKWSGFYJMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-12(2,15-4)7-5-9(13)11-10(14-3)6-8-16-11/h6,8H,5,7H2,1-4H3.
What are the key properties of 4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one?
4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one has a molecular weight of 242.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-methoxythiophen-2-yl)-4-methylpentan-1-one is sourced from PubChem (CID 103024455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).