4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid

C9H12O4S — CID 66439068

IUPAC4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid
SMILESCOCC(C)Oc1csc(C(=O)O)c1
InChIInChI=1S/C9H12O4S/c1-6(4-12-2)13-7-3-8(9(10)11)14-5-7/h3,5-6H,4H2,1-2H3,(H,10,11)
InChIKeyVWWUSENTUOAAIM-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.86
Rot. Bonds5

About 4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid

4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid (PubChem CID 66439068) has the molecular formula C9H12O4S and a molecular weight of 216.26 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid
PubChem CID66439068
Molecular FormulaC9H12O4S
Molecular Weight216.26 g/mol
Exact Mass216.05
IUPAC Name4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid
SMILESCOCC(C)Oc1csc(C(=O)O)c1
InChIInChI=1S/C9H12O4S/c1-6(4-12-2)13-7-3-8(9(10)11)14-5-7/h3,5-6H,4H2,1-2H3,(H,10,11)
InChIKeyVWWUSENTUOAAIM-UHFFFAOYSA-N
XLogP1.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid?
The IUPAC name of 4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid (CID 66439068) is 4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid is COCC(C)Oc1csc(C(=O)O)c1.
What is the InChIKey of 4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid?
The InChIKey is VWWUSENTUOAAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4S/c1-6(4-12-2)13-7-3-8(9(10)11)14-5-7/h3,5-6H,4H2,1-2H3,(H,10,11).
What are the key properties of 4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid?
4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid has a molecular weight of 216.26 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 66439068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).