2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone

C11H14O2S — CID 103558841

IUPAC2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone
SMILESCOC1(CC(=O)c2ccsc2)CCC1
InChIInChI=1S/C11H14O2S/c1-13-11(4-2-5-11)7-10(12)9-3-6-14-8-9/h3,6,8H,2,4-5,7H2,1H3
InChIKeyGNAFMJJLENIXBY-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.89
Rot. Bonds4

About 2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone

2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone (PubChem CID 103558841) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone
PubChem CID103558841
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone
SMILESCOC1(CC(=O)c2ccsc2)CCC1
InChIInChI=1S/C11H14O2S/c1-13-11(4-2-5-11)7-10(12)9-3-6-14-8-9/h3,6,8H,2,4-5,7H2,1H3
InChIKeyGNAFMJJLENIXBY-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555872
2-(1-aminocyclopentyl)-1-thiophen-3-ylethanone
CID 116578647
2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone
CID 103558992
2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 103556021
1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555876
1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558918
2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 103558920
(1-aminocyclobutyl)-thiophen-3-ylmethanone
CID 116598388
1-(2-bromo-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555951
2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 103558819
2-(1-methoxycyclobutyl)-1-(4-thiophen-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 131690086
2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103558943

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone?
The IUPAC name of 2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone (CID 103558841) is 2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone?
The canonical SMILES for 2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone is COC1(CC(=O)c2ccsc2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone?
The InChIKey is GNAFMJJLENIXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-13-11(4-2-5-11)7-10(12)9-3-6-14-8-9/h3,6,8H,2,4-5,7H2,1H3.
What are the key properties of 2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone?
2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone has a molecular weight of 210.30 g/mol, XLogP of 2.89, 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-thiophen-3-ylethanone is sourced from PubChem (CID 103558841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).