5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid

C11H8O5S — CID 2764715

IUPAC5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid
SMILESCOC(=O)c1sccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C11H8O5S/c1-15-11(14)9-6(4-5-17-9)7-2-3-8(16-7)10(12)13/h2-5H,1H3,(H,12,13)
InChIKeyYENXSQRGGUCQBA-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.49
Rot. Bonds3

About 5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid

5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid (PubChem CID 2764715) has the molecular formula C11H8O5S and a molecular weight of 252.25 g/mol. Its IUPAC name is 5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid
PubChem CID2764715
Molecular FormulaC11H8O5S
Molecular Weight252.25 g/mol
Exact Mass252.01
IUPAC Name5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid
SMILESCOC(=O)c1sccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C11H8O5S/c1-15-11(14)9-6(4-5-17-9)7-2-3-8(16-7)10(12)13/h2-5H,1H3,(H,12,13)
InChIKeyYENXSQRGGUCQBA-UHFFFAOYSA-N
XLogP2.49
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid (CID 2764715) is 5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid is COC(=O)c1sccc1-c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid?
The InChIKey is YENXSQRGGUCQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O5S/c1-15-11(14)9-6(4-5-17-9)7-2-3-8(16-7)10(12)13/h2-5H,1H3,(H,12,13).
What are the key properties of 5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid?
5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid has a molecular weight of 252.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxycarbonylthiophen-3-yl)furan-2-carboxylic acid is sourced from PubChem (CID 2764715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).