2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid

C13H8O3S — CID 82385837

IUPAC2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1-c1cc2ccccc2o1
InChIInChI=1S/C13H8O3S/c14-13(15)9-5-6-17-12(9)11-7-8-3-1-2-4-10(8)16-11/h1-7H,(H,14,15)
InChIKeyZSYPPOPMMOJEAE-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.86
Rot. Bonds2

About 2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid

2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid (PubChem CID 82385837) has the molecular formula C13H8O3S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid
PubChem CID82385837
Molecular FormulaC13H8O3S
Molecular Weight244.27 g/mol
Exact Mass244.02
IUPAC Name2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1-c1cc2ccccc2o1
InChIInChI=1S/C13H8O3S/c14-13(15)9-5-6-17-12(9)11-7-8-3-1-2-4-10(8)16-11/h1-7H,(H,14,15)
InChIKeyZSYPPOPMMOJEAE-UHFFFAOYSA-N
XLogP3.86
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxochromene-3-carboxylic acid
CID 161011590
(2Z)-2-hydroxyiminochromene-3-carboxylic acid
CID 97302642
5-(1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 69167751
6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533402
3-amino-5-(1-benzofuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
CID 83034869
3-(1-benzofuran-2-yl)pyridine-2-carboxylic acid
CID 107525167
2-[2-(1-benzofuran-2-yl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 59384796
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
5-(1-benzofuran-2-yl)furan-2-carboxamide
CID 90769310
2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 5024096
3,5-dibromo-2-(2-oxochromen-3-yl)benzoic acid
CID 91688743
2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine
CID 55181045

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid (CID 82385837) is 2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid is O=C(O)c1ccsc1-c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid?
The InChIKey is ZSYPPOPMMOJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O3S/c14-13(15)9-5-6-17-12(9)11-7-8-3-1-2-4-10(8)16-11/h1-7H,(H,14,15).
What are the key properties of 2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid?
2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 82385837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).