1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one

C13H17ClO2S — CID 103167780

IUPAC1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one
SMILESCCOC1CC(CC(=O)Cc2ccc(Cl)s2)C1
InChIInChI=1S/C13H17ClO2S/c1-2-16-11-6-9(7-11)5-10(15)8-12-3-4-13(14)17-12/h3-4,9,11H,2,5-8H2,1H3
InChIKeyWONARNMEXGQXRF-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.72
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one

1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one (PubChem CID 103167780) has the molecular formula C13H17ClO2S and a molecular weight of 272.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one
PubChem CID103167780
Molecular FormulaC13H17ClO2S
Molecular Weight272.80 g/mol
Exact Mass272.06
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one
SMILESCCOC1CC(CC(=O)Cc2ccc(Cl)s2)C1
InChIInChI=1S/C13H17ClO2S/c1-2-16-11-6-9(7-11)5-10(15)8-12-3-4-13(14)17-12/h3-4,9,11H,2,5-8H2,1H3
InChIKeyWONARNMEXGQXRF-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103168454
1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583465
[1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170459
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103167727
1-(5-chlorothiophen-2-yl)tridecan-2-one
CID 114967561
1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103164062
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967512
1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167728
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethanone
CID 116748987
2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone
CID 103162359
2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid
CID 114118777
1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586600

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one (CID 103167780) is 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one is CCOC1CC(CC(=O)Cc2ccc(Cl)s2)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one?
The InChIKey is WONARNMEXGQXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2S/c1-2-16-11-6-9(7-11)5-10(15)8-12-3-4-13(14)17-12/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one?
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one has a molecular weight of 272.80 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one is sourced from PubChem (CID 103167780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).