2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan

C13H16OS — CID 166661118

IUPAC2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan
SMILESCCc1ccc(CC(C)c2ccco2)s1
InChIInChI=1S/C13H16OS/c1-3-11-6-7-12(15-11)9-10(2)13-5-4-8-14-13/h4-8,10H,3,9H2,1-2H3
InChIKeyLVORDPZYUOKMJF-UHFFFAOYSA-N
MW220.34 g/mol
LogP4.25
Rot. Bonds4

About 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan

2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan (PubChem CID 166661118) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan.

Molecular Properties

Compound Name2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan
PubChem CID166661118
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan
SMILESCCc1ccc(CC(C)c2ccco2)s1
InChIInChI=1S/C13H16OS/c1-3-11-6-7-12(15-11)9-10(2)13-5-4-8-14-13/h4-8,10H,3,9H2,1-2H3
InChIKeyLVORDPZYUOKMJF-UHFFFAOYSA-N
XLogP4.25
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan?
The IUPAC name of 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan (CID 166661118) is 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan.
What is the SMILES notation for 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan?
The canonical SMILES for 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan is CCc1ccc(CC(C)c2ccco2)s1.
What is the InChIKey of 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan?
The InChIKey is LVORDPZYUOKMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-3-11-6-7-12(15-11)9-10(2)13-5-4-8-14-13/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan?
2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan has a molecular weight of 220.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan is sourced from PubChem (CID 166661118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).