methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate

C11H8O4S — CID 2797068

IUPACmethyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(C=O)o1
InChIInChI=1S/C11H8O4S/c1-14-11(13)10-8(4-5-16-10)9-3-2-7(6-12)15-9/h2-6H,1H3
InChIKeyRZYUUAQLLIBFPT-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.61
Rot. Bonds3

About methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate

methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate (PubChem CID 2797068) has the molecular formula C11H8O4S and a molecular weight of 236.25 g/mol. Its IUPAC name is methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate
PubChem CID2797068
Molecular FormulaC11H8O4S
Molecular Weight236.25 g/mol
Exact Mass236.01
IUPAC Namemethyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(C=O)o1
InChIInChI=1S/C11H8O4S/c1-14-11(13)10-8(4-5-16-10)9-3-2-7(6-12)15-9/h2-6H,1H3
InChIKeyRZYUUAQLLIBFPT-UHFFFAOYSA-N
XLogP2.61
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate (CID 2797068) is methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate is COC(=O)c1sccc1-c1ccc(C=O)o1.
What is the InChIKey of methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate?
The InChIKey is RZYUUAQLLIBFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4S/c1-14-11(13)10-8(4-5-16-10)9-3-2-7(6-12)15-9/h2-6H,1H3.
What are the key properties of methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate?
methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate has a molecular weight of 236.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 2797068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).