2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone

C11H13ClO2S — CID 116707079

IUPAC2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
SMILESCOC1(C(=O)Cc2ccc(Cl)s2)CCC1
InChIInChI=1S/C11H13ClO2S/c1-14-11(5-2-6-11)9(13)7-8-3-4-10(12)15-8/h3-4H,2,5-7H2,1H3
InChIKeyDESPBFRIMUYZOC-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.08
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone

2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone (PubChem CID 116707079) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
PubChem CID116707079
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
SMILESCOC1(C(=O)Cc2ccc(Cl)s2)CCC1
InChIInChI=1S/C11H13ClO2S/c1-14-11(5-2-6-11)9(13)7-8-3-4-10(12)15-8/h3-4H,2,5-7H2,1H3
InChIKeyDESPBFRIMUYZOC-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749729
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethanone
CID 116748987
2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829545
1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone
CID 116600380
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116706997
2-(3-chlorothiophen-2-yl)-1-(1-methoxycycloheptyl)ethanone
CID 112749502
2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 102857313
2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706780
1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116706920
1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone
CID 104610156
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 107884128
1-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethyl-2-oxocyclohexane-1-carbonitrile
CID 79855706

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone (CID 116707079) is 2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone is COC1(C(=O)Cc2ccc(Cl)s2)CCC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone?
The InChIKey is DESPBFRIMUYZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S/c1-14-11(5-2-6-11)9(13)7-8-3-4-10(12)15-8/h3-4H,2,5-7H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone?
2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone has a molecular weight of 244.74 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 116707079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).