5-methoxy-1-benzothiophene-2-carboxylic acid

C10H8O3S — CID 3008388

IUPAC5-methoxy-1-benzothiophene-2-carboxylic acid
SMILESCOc1ccc2sc(C(=O)O)cc2c1
InChIInChI=1S/C10H8O3S/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12)
InChIKeyCSMSEXYPAWBSCB-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.61
Rot. Bonds2

About 5-methoxy-1-benzothiophene-2-carboxylic acid

5-methoxy-1-benzothiophene-2-carboxylic acid (PubChem CID 3008388) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-methoxy-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-benzothiophene-2-carboxylic acid
PubChem CID3008388
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name5-methoxy-1-benzothiophene-2-carboxylic acid
SMILESCOc1ccc2sc(C(=O)O)cc2c1
InChIInChI=1S/C10H8O3S/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12)
InChIKeyCSMSEXYPAWBSCB-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 5-methoxy-1-benzothiophene-2-carboxylic acid (CID 3008388) is 5-methoxy-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1-benzothiophene-2-carboxylic acid is COc1ccc2sc(C(=O)O)cc2c1.
What is the InChIKey of 5-methoxy-1-benzothiophene-2-carboxylic acid?
The InChIKey is CSMSEXYPAWBSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12).
What are the key properties of 5-methoxy-1-benzothiophene-2-carboxylic acid?
5-methoxy-1-benzothiophene-2-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 3008388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).