5-methoxythiophene-2-carboxylic acid

C6H6O3S — CID 5188119

IUPAC5-methoxythiophene-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)s1
InChIInChI=1S/C6H6O3S/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)
InChIKeyILLPXKQRQUSURG-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.45
Rot. Bonds2

About 5-methoxythiophene-2-carboxylic acid

5-methoxythiophene-2-carboxylic acid (PubChem CID 5188119) has the molecular formula C6H6O3S and a molecular weight of 158.18 g/mol. Its IUPAC name is 5-methoxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxythiophene-2-carboxylic acid
PubChem CID5188119
Molecular FormulaC6H6O3S
Molecular Weight158.18 g/mol
Exact Mass158.00
IUPAC Name5-methoxythiophene-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)s1
InChIInChI=1S/C6H6O3S/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)
InChIKeyILLPXKQRQUSURG-UHFFFAOYSA-N
XLogP1.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxythiophene-2-carboxylic acid?
The IUPAC name of 5-methoxythiophene-2-carboxylic acid (CID 5188119) is 5-methoxythiophene-2-carboxylic acid.
What is the SMILES notation for 5-methoxythiophene-2-carboxylic acid?
The canonical SMILES for 5-methoxythiophene-2-carboxylic acid is COc1ccc(C(=O)O)s1.
What is the InChIKey of 5-methoxythiophene-2-carboxylic acid?
The InChIKey is ILLPXKQRQUSURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3S/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8).
What are the key properties of 5-methoxythiophene-2-carboxylic acid?
5-methoxythiophene-2-carboxylic acid has a molecular weight of 158.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxythiophene-2-carboxylic acid is sourced from PubChem (CID 5188119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).