3-methoxy-1-thiophen-2-ylhexan-2-one

C11H16O2S — CID 116708019

IUPAC3-methoxy-1-thiophen-2-ylhexan-2-one
SMILESCCCC(OC)C(=O)Cc1cccs1
InChIInChI=1S/C11H16O2S/c1-3-5-11(13-2)10(12)8-9-6-4-7-14-9/h4,6-7,11H,3,5,8H2,1-2H3
InChIKeyPSLVPZRJWOPYBG-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.67
Rot. Bonds6

About 3-methoxy-1-thiophen-2-ylhexan-2-one

3-methoxy-1-thiophen-2-ylhexan-2-one (PubChem CID 116708019) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 3-methoxy-1-thiophen-2-ylhexan-2-one.

Molecular Properties

Compound Name3-methoxy-1-thiophen-2-ylhexan-2-one
PubChem CID116708019
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name3-methoxy-1-thiophen-2-ylhexan-2-one
SMILESCCCC(OC)C(=O)Cc1cccs1
InChIInChI=1S/C11H16O2S/c1-3-5-11(13-2)10(12)8-9-6-4-7-14-9/h4,6-7,11H,3,5,8H2,1-2H3
InChIKeyPSLVPZRJWOPYBG-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-thiophen-2-ylbutan-2-one
CID 79616178
3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
CID 116708185
ethyl (2R)-2-hydroxy-3-oxo-4-thiophen-2-ylbutanoate
CID 100936986
4-methoxy-1-thiophen-2-ylhexan-3-one
CID 116707110
4-ethoxy-1-thiophen-2-ylheptan-3-one
CID 116707732
1-(2,3-dichlorophenyl)-3-methoxyhexan-2-one
CID 107308025
1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one
CID 116750876
3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 116708071
methyl 3-oxo-4-thiophen-2-ylbutanoate
CID 165358561
3-amino-3-methyl-1-thiophen-2-ylhexan-2-one
CID 116556957
4-methoxy-1-phenylheptan-3-one
CID 116708295
3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
CID 57051031

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-thiophen-2-ylhexan-2-one?
The IUPAC name of 3-methoxy-1-thiophen-2-ylhexan-2-one (CID 116708019) is 3-methoxy-1-thiophen-2-ylhexan-2-one.
What is the SMILES notation for 3-methoxy-1-thiophen-2-ylhexan-2-one?
The canonical SMILES for 3-methoxy-1-thiophen-2-ylhexan-2-one is CCCC(OC)C(=O)Cc1cccs1.
What is the InChIKey of 3-methoxy-1-thiophen-2-ylhexan-2-one?
The InChIKey is PSLVPZRJWOPYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-3-5-11(13-2)10(12)8-9-6-4-7-14-9/h4,6-7,11H,3,5,8H2,1-2H3.
What are the key properties of 3-methoxy-1-thiophen-2-ylhexan-2-one?
3-methoxy-1-thiophen-2-ylhexan-2-one has a molecular weight of 212.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-thiophen-2-ylhexan-2-one is sourced from PubChem (CID 116708019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).