(2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate

C11H8O4S — CID 2336422

IUPAC(2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate
SMILESO=C(OCC(=O)c1cccs1)c1ccco1
InChIInChI=1S/C11H8O4S/c12-8(10-4-2-6-16-10)7-15-11(13)9-3-1-5-14-9/h1-6H,7H2
InChIKeyDCLNXYVZZDMNCP-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.38
Rot. Bonds4

About (2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate

(2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate (PubChem CID 2336422) has the molecular formula C11H8O4S and a molecular weight of 236.25 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate
PubChem CID2336422
Molecular FormulaC11H8O4S
Molecular Weight236.25 g/mol
Exact Mass236.01
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate
SMILESO=C(OCC(=O)c1cccs1)c1ccco1
InChIInChI=1S/C11H8O4S/c12-8(10-4-2-6-16-10)7-15-11(13)9-3-1-5-14-9/h1-6H,7H2
InChIKeyDCLNXYVZZDMNCP-UHFFFAOYSA-N
XLogP2.38
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate (CID 2336422) is (2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate is O=C(OCC(=O)c1cccs1)c1ccco1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate?
The InChIKey is DCLNXYVZZDMNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4S/c12-8(10-4-2-6-16-10)7-15-11(13)9-3-1-5-14-9/h1-6H,7H2.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate?
(2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate has a molecular weight of 236.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) furan-2-carboxylate is sourced from PubChem (CID 2336422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).