2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone

C12H16O2S — CID 103558992

IUPAC2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone
SMILESCOC1(CC(=O)c2ccsc2C)CCC1
InChIInChI=1S/C12H16O2S/c1-9-10(4-7-15-9)11(13)8-12(14-2)5-3-6-12/h4,7H,3,5-6,8H2,1-2H3
InChIKeyHIXZNVJUUBVEOI-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.20
Rot. Bonds4

About 2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone

2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone (PubChem CID 103558992) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone
PubChem CID103558992
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone
SMILESCOC1(CC(=O)c2ccsc2C)CCC1
InChIInChI=1S/C12H16O2S/c1-9-10(4-7-15-9)11(13)8-12(14-2)5-3-6-12/h4,7H,3,5-6,8H2,1-2H3
InChIKeyHIXZNVJUUBVEOI-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558918
2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone
CID 103558841
2-(1-methoxycyclobutyl)-1-(5-methylthiophen-3-yl)ethanone
CID 103558846
2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone
CID 103168178
1-(2-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558764
3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one
CID 102830655
1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555872
1-(2-bromo-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555951
2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103558943
1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558404
2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 103556021
1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103556035

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone?
The IUPAC name of 2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone (CID 103558992) is 2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone is COC1(CC(=O)c2ccsc2C)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone?
The InChIKey is HIXZNVJUUBVEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-9-10(4-7-15-9)11(13)8-12(14-2)5-3-6-12/h4,7H,3,5-6,8H2,1-2H3.
What are the key properties of 2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone?
2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone has a molecular weight of 224.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone is sourced from PubChem (CID 103558992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).