4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one

C12H12O2S — CID 61053856

IUPAC4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one
SMILESO=C(CCc1ccco1)Cc1ccsc1
InChIInChI=1S/C12H12O2S/c13-11(8-10-5-7-15-9-10)3-4-12-2-1-6-14-12/h1-2,5-7,9H,3-4,8H2
InChIKeyOGOYXDICVBOEFP-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.09
Rot. Bonds5

About 4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one

4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one (PubChem CID 61053856) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one
PubChem CID61053856
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one
SMILESO=C(CCc1ccco1)Cc1ccsc1
InChIInChI=1S/C12H12O2S/c13-11(8-10-5-7-15-9-10)3-4-12-2-1-6-14-12/h1-2,5-7,9H,3-4,8H2
InChIKeyOGOYXDICVBOEFP-UHFFFAOYSA-N
XLogP3.09
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one
CID 105103087
1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
CID 105089444
2-(furan-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43395504
N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 134013428
1-(furan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 105147818
6-(furan-2-yl)hexane-2,4-dione
CID 155288881
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
1-thiophen-3-ylhex-5-en-2-one
CID 105104599
1-(furan-2-yl)hept-6-yn-3-one
CID 105100759
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
[5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46992645
4-(furan-2-yl)-1-(thian-4-yl)butan-2-one
CID 83136556

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one?
The IUPAC name of 4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one (CID 61053856) is 4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one.
What is the SMILES notation for 4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one?
The canonical SMILES for 4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one is O=C(CCc1ccco1)Cc1ccsc1.
What is the InChIKey of 4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one?
The InChIKey is OGOYXDICVBOEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c13-11(8-10-5-7-15-9-10)3-4-12-2-1-6-14-12/h1-2,5-7,9H,3-4,8H2.
What are the key properties of 4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one?
4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one has a molecular weight of 220.29 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one is sourced from PubChem (CID 61053856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).