4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid

C11H10O3S — CID 7017814

IUPAC4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid
SMILESCc1ccc(-c2sc(C(=O)O)cc2C)o1
InChIInChI=1S/C11H10O3S/c1-6-5-9(11(12)13)15-10(6)8-4-3-7(2)14-8/h3-5H,1-2H3,(H,12,13)
InChIKeyZQZASOZGACCPDV-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.32
Rot. Bonds2

About 4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid

4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid (PubChem CID 7017814) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid
PubChem CID7017814
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Name4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid
SMILESCc1ccc(-c2sc(C(=O)O)cc2C)o1
InChIInChI=1S/C11H10O3S/c1-6-5-9(11(12)13)15-10(6)8-4-3-7(2)14-8/h3-5H,1-2H3,(H,12,13)
InChIKeyZQZASOZGACCPDV-UHFFFAOYSA-N
XLogP3.32
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid (CID 7017814) is 4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid is Cc1ccc(-c2sc(C(=O)O)cc2C)o1.
What is the InChIKey of 4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid?
The InChIKey is ZQZASOZGACCPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-6-5-9(11(12)13)15-10(6)8-4-3-7(2)14-8/h3-5H,1-2H3,(H,12,13).
What are the key properties of 4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid?
4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid has a molecular weight of 222.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 7017814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).