4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid

C8H8O4S — CID 14326173

IUPAC4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid
SMILESCOC(=O)Cc1cscc1C(=O)O
InChIInChI=1S/C8H8O4S/c1-12-7(9)2-5-3-13-4-6(5)8(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyQYMMFKXQBMKNDB-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.16
Rot. Bonds3

About 4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid

4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid (PubChem CID 14326173) has the molecular formula C8H8O4S and a molecular weight of 200.21 g/mol. Its IUPAC name is 4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid
PubChem CID14326173
Molecular FormulaC8H8O4S
Molecular Weight200.21 g/mol
Exact Mass200.01
IUPAC Name4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid
SMILESCOC(=O)Cc1cscc1C(=O)O
InChIInChI=1S/C8H8O4S/c1-12-7(9)2-5-3-13-4-6(5)8(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyQYMMFKXQBMKNDB-UHFFFAOYSA-N
XLogP1.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid (CID 14326173) is 4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid is COC(=O)Cc1cscc1C(=O)O.
What is the InChIKey of 4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid?
The InChIKey is QYMMFKXQBMKNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4S/c1-12-7(9)2-5-3-13-4-6(5)8(10)11/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid?
4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid has a molecular weight of 200.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 14326173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).