(3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone

C12H12O2S — CID 79985780

IUPAC(3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
SMILESCCc1ccsc1C(=O)c1ccc(C)o1
InChIInChI=1S/C12H12O2S/c1-3-9-6-7-15-12(9)11(13)10-5-4-8(2)14-10/h4-7H,3H2,1-2H3
InChIKeyMFXZGUYKVHFUNQ-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.44
Rot. Bonds3

About (3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone

(3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 79985780) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
PubChem CID79985780
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name(3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
SMILESCCc1ccsc1C(=O)c1ccc(C)o1
InChIInChI=1S/C12H12O2S/c1-3-9-6-7-15-12(9)11(13)10-5-4-8(2)14-10/h4-7H,3H2,1-2H3
InChIKeyMFXZGUYKVHFUNQ-UHFFFAOYSA-N
XLogP3.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone (CID 79985780) is (3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone is CCc1ccsc1C(=O)c1ccc(C)o1.
What is the InChIKey of (3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is MFXZGUYKVHFUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-3-9-6-7-15-12(9)11(13)10-5-4-8(2)14-10/h4-7H,3H2,1-2H3.
What are the key properties of (3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone?
(3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 220.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 79985780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).