3-ethoxy-5-phenylthiophene-2-carboxylic acid

C13H12O3S — CID 14154196

IUPAC3-ethoxy-5-phenylthiophene-2-carboxylic acid
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C13H12O3S/c1-2-16-10-8-11(17-12(10)13(14)15)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15)
InChIKeyMOYWXOIHUAIRAN-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.51
Rot. Bonds4

About 3-ethoxy-5-phenylthiophene-2-carboxylic acid

3-ethoxy-5-phenylthiophene-2-carboxylic acid (PubChem CID 14154196) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-ethoxy-5-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-5-phenylthiophene-2-carboxylic acid
PubChem CID14154196
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name3-ethoxy-5-phenylthiophene-2-carboxylic acid
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C13H12O3S/c1-2-16-10-8-11(17-12(10)13(14)15)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15)
InChIKeyMOYWXOIHUAIRAN-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-phenylthiophene-2-carboxylic acid?
The IUPAC name of 3-ethoxy-5-phenylthiophene-2-carboxylic acid (CID 14154196) is 3-ethoxy-5-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-ethoxy-5-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 3-ethoxy-5-phenylthiophene-2-carboxylic acid is CCOc1cc(-c2ccccc2)sc1C(=O)O.
What is the InChIKey of 3-ethoxy-5-phenylthiophene-2-carboxylic acid?
The InChIKey is MOYWXOIHUAIRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-2-16-10-8-11(17-12(10)13(14)15)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of 3-ethoxy-5-phenylthiophene-2-carboxylic acid?
3-ethoxy-5-phenylthiophene-2-carboxylic acid has a molecular weight of 248.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 14154196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).