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

C17H10O3S — CID 139983321

IUPAC3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2ccccc2c1-c1cc2ccccc2s1
InChIInChI=1S/C17H10O3S/c18-17(19)16-15(11-6-2-3-7-12(11)20-16)14-9-10-5-1-4-8-13(10)21-14/h1-9H,(H,18,19)
InChIKeyJCVVNHSKPHWWCA-UHFFFAOYSA-N
MW294.33 g/mol
LogP5.01
Rot. Bonds2

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

3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid (PubChem CID 139983321) has the molecular formula C17H10O3S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid
PubChem CID139983321
Molecular FormulaC17H10O3S
Molecular Weight294.33 g/mol
Exact Mass294.04
IUPAC Name3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2ccccc2c1-c1cc2ccccc2s1
InChIInChI=1S/C17H10O3S/c18-17(19)16-15(11-6-2-3-7-12(11)20-16)14-9-10-5-1-4-8-13(10)21-14/h1-9H,(H,18,19)
InChIKeyJCVVNHSKPHWWCA-UHFFFAOYSA-N
XLogP5.01
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.33
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
CID 164666500
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
2-[13-(1-benzothiophen-2-yl)pentacen-6-yl]-1-benzothiophene
CID 86041165
2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
CID 15515264
2-(1-benzothiophen-2-yl)benzene-1,3-diamine
CID 102202625
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
2-carboxy-1-benzofuran-3-olate
CID 54715094
2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146186752
N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 164744492
2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146183037
5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid
CID 53223621
2-[7-(1-benzothiophen-2-yl)benzo[a]anthracen-12-yl]-1-benzothiophene
CID 59601091

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid (CID 139983321) is 3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid is O=C(O)c1oc2ccccc2c1-c1cc2ccccc2s1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid?
The InChIKey is JCVVNHSKPHWWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O3S/c18-17(19)16-15(11-6-2-3-7-12(11)20-16)14-9-10-5-1-4-8-13(10)21-14/h1-9H,(H,18,19).
What are the key properties of 3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid?
3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 139983321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).