3-methoxy-4-methylthiophene-2-carboxylic acid

C7H8O3S — CID 13061856

IUPAC3-methoxy-4-methylthiophene-2-carboxylic acid
SMILESCOc1c(C)csc1C(=O)O
InChIInChI=1S/C7H8O3S/c1-4-3-11-6(7(8)9)5(4)10-2/h3H,1-2H3,(H,8,9)
InChIKeyUQXXEJYOFLKCHS-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.76
Rot. Bonds2

About 3-methoxy-4-methylthiophene-2-carboxylic acid

3-methoxy-4-methylthiophene-2-carboxylic acid (PubChem CID 13061856) has the molecular formula C7H8O3S and a molecular weight of 172.20 g/mol. Its IUPAC name is 3-methoxy-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-4-methylthiophene-2-carboxylic acid
PubChem CID13061856
Molecular FormulaC7H8O3S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Name3-methoxy-4-methylthiophene-2-carboxylic acid
SMILESCOc1c(C)csc1C(=O)O
InChIInChI=1S/C7H8O3S/c1-4-3-11-6(7(8)9)5(4)10-2/h3H,1-2H3,(H,8,9)
InChIKeyUQXXEJYOFLKCHS-UHFFFAOYSA-N
XLogP1.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-methoxy-4-methylthiophene-2-carboxylic acid (CID 13061856) is 3-methoxy-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-methoxy-4-methylthiophene-2-carboxylic acid is COc1c(C)csc1C(=O)O.
What is the InChIKey of 3-methoxy-4-methylthiophene-2-carboxylic acid?
The InChIKey is UQXXEJYOFLKCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c1-4-3-11-6(7(8)9)5(4)10-2/h3H,1-2H3,(H,8,9).
What are the key properties of 3-methoxy-4-methylthiophene-2-carboxylic acid?
3-methoxy-4-methylthiophene-2-carboxylic acid has a molecular weight of 172.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 13061856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).