ethyl 2-(furan-2-yl)thiophene-3-carboxylate

C11H10O3S — CID 10376255

IUPACethyl 2-(furan-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1-c1ccco1
InChIInChI=1S/C11H10O3S/c1-2-13-11(12)8-5-7-15-10(8)9-4-3-6-14-9/h3-7H,2H2,1H3
InChIKeyISEOPNWQHYDZLT-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.18
Rot. Bonds3

About ethyl 2-(furan-2-yl)thiophene-3-carboxylate

ethyl 2-(furan-2-yl)thiophene-3-carboxylate (PubChem CID 10376255) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is ethyl 2-(furan-2-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-yl)thiophene-3-carboxylate
PubChem CID10376255
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Nameethyl 2-(furan-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1-c1ccco1
InChIInChI=1S/C11H10O3S/c1-2-13-11(12)8-5-7-15-10(8)9-4-3-6-14-9/h3-7H,2H2,1H3
InChIKeyISEOPNWQHYDZLT-UHFFFAOYSA-N
XLogP3.18
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-yl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-(furan-2-yl)thiophene-3-carboxylate (CID 10376255) is ethyl 2-(furan-2-yl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-yl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-yl)thiophene-3-carboxylate is CCOC(=O)c1ccsc1-c1ccco1.
What is the InChIKey of ethyl 2-(furan-2-yl)thiophene-3-carboxylate?
The InChIKey is ISEOPNWQHYDZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-2-13-11(12)8-5-7-15-10(8)9-4-3-6-14-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-(furan-2-yl)thiophene-3-carboxylate?
ethyl 2-(furan-2-yl)thiophene-3-carboxylate has a molecular weight of 222.26 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-yl)thiophene-3-carboxylate is sourced from PubChem (CID 10376255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).