5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid

C15H10O5S — CID 2740001

IUPAC5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid
SMILESCC(=O)c1sc(C(=O)O)c(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C15H10O5S/c1-8(16)13-11(9-4-2-6-19-9)12(10-5-3-7-20-10)14(21-13)15(17)18/h2-7H,1H3,(H,17,18)
InChIKeyBURWBYBJXHFOQS-UHFFFAOYSA-N
MW302.31 g/mol
LogP4.17
Rot. Bonds4

About 5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid

5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid (PubChem CID 2740001) has the molecular formula C15H10O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid
PubChem CID2740001
Molecular FormulaC15H10O5S
Molecular Weight302.31 g/mol
Exact Mass302.02
IUPAC Name5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid
SMILESCC(=O)c1sc(C(=O)O)c(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C15H10O5S/c1-8(16)13-11(9-4-2-6-19-9)12(10-5-3-7-20-10)14(21-13)15(17)18/h2-7H,1H3,(H,17,18)
InChIKeyBURWBYBJXHFOQS-UHFFFAOYSA-N
XLogP4.17
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid (CID 2740001) is 5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid is CC(=O)c1sc(C(=O)O)c(-c2ccco2)c1-c1ccco1.
What is the InChIKey of 5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid?
The InChIKey is BURWBYBJXHFOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5S/c1-8(16)13-11(9-4-2-6-19-9)12(10-5-3-7-20-10)14(21-13)15(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid?
5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3,4-bis(furan-2-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 2740001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).