1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one

C14H20O2S — CID 103167854

IUPAC1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one
SMILESCCOC1CC(CC(=O)CCc2cccs2)C1
InChIInChI=1S/C14H20O2S/c1-2-16-13-9-11(10-13)8-12(15)5-6-14-4-3-7-17-14/h3-4,7,11,13H,2,5-6,8-10H2,1H3
InChIKeyUGGBSYBJRUGKIX-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.45
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one

1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one (PubChem CID 103167854) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one
PubChem CID103167854
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one
SMILESCCOC1CC(CC(=O)CCc2cccs2)C1
InChIInChI=1S/C14H20O2S/c1-2-16-13-9-11(10-13)8-12(15)5-6-14-4-3-7-17-14/h3-4,7,11,13H,2,5-6,8-10H2,1H3
InChIKeyUGGBSYBJRUGKIX-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
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5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
5-methyl-1-thiophen-2-ylheptan-3-one
CID 114973234
2-propanoyloxyethyl 3-oxo-5-thiophen-2-ylpentanoate
CID 174636106
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124689352
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477
1-tert-butylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65133641

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one?
The IUPAC name of 1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one (CID 103167854) is 1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one is CCOC1CC(CC(=O)CCc2cccs2)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one?
The InChIKey is UGGBSYBJRUGKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-2-16-13-9-11(10-13)8-12(15)5-6-14-4-3-7-17-14/h3-4,7,11,13H,2,5-6,8-10H2,1H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one?
1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one has a molecular weight of 252.38 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 103167854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).