5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid

C13H10O3S — CID 114746347

IUPAC5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc3c2OCC3)s1
InChIInChI=1S/C13H10O3S/c14-13(15)11-5-4-10(17-11)9-3-1-2-8-6-7-16-12(8)9/h1-5H,6-7H2,(H,14,15)
InChIKeyKOYYRQSIHZOUTE-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.05
Rot. Bonds2

About 5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid

5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid (PubChem CID 114746347) has the molecular formula C13H10O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid
PubChem CID114746347
Molecular FormulaC13H10O3S
Molecular Weight246.29 g/mol
Exact Mass246.04
IUPAC Name5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc3c2OCC3)s1
InChIInChI=1S/C13H10O3S/c14-13(15)11-5-4-10(17-11)9-3-1-2-8-6-7-16-12(8)9/h1-5H,6-7H2,(H,14,15)
InChIKeyKOYYRQSIHZOUTE-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid (CID 114746347) is 5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2cccc3c2OCC3)s1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid?
The InChIKey is KOYYRQSIHZOUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3S/c14-13(15)11-5-4-10(17-11)9-3-1-2-8-6-7-16-12(8)9/h1-5H,6-7H2,(H,14,15).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid?
5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid has a molecular weight of 246.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-7-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 114746347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).