3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid

C15H10O5S2 — CID 23646655

IUPAC3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)COc1c(C(=O)O)sc2cc(-c3cccs3)ccc12
InChIInChI=1S/C15H10O5S2/c16-12(17)7-20-13-9-4-3-8(10-2-1-5-21-10)6-11(9)22-14(13)15(18)19/h1-6H,7H2,(H,16,17)(H,18,19)
InChIKeyOMLSVSVZHXWLDN-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.79
Rot. Bonds5

About 3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid

3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid (PubChem CID 23646655) has the molecular formula C15H10O5S2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid
PubChem CID23646655
Molecular FormulaC15H10O5S2
Molecular Weight334.37 g/mol
Exact Mass334.00
IUPAC Name3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)COc1c(C(=O)O)sc2cc(-c3cccs3)ccc12
InChIInChI=1S/C15H10O5S2/c16-12(17)7-20-13-9-4-3-8(10-2-1-5-21-10)6-11(9)22-14(13)15(18)19/h1-6H,7H2,(H,16,17)(H,18,19)
InChIKeyOMLSVSVZHXWLDN-UHFFFAOYSA-N
XLogP3.79
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid (CID 23646655) is 3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid is O=C(O)COc1c(C(=O)O)sc2cc(-c3cccs3)ccc12.
What is the InChIKey of 3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid?
The InChIKey is OMLSVSVZHXWLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5S2/c16-12(17)7-20-13-9-4-3-8(10-2-1-5-21-10)6-11(9)22-14(13)15(18)19/h1-6H,7H2,(H,16,17)(H,18,19).
What are the key properties of 3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid?
3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxy)-6-thiophen-2-yl-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 23646655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).