3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid

C10H7ClO3S — CID 693153

IUPAC3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid
SMILESCOc1ccc2c(Cl)c(C(=O)O)sc2c1
InChIInChI=1S/C10H7ClO3S/c1-14-5-2-3-6-7(4-5)15-9(8(6)11)10(12)13/h2-4H,1H3,(H,12,13)
InChIKeyLEAIEMOBUHEQNT-UHFFFAOYSA-N
MW242.68 g/mol
LogP3.26
Rot. Bonds2

About 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid

3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid (PubChem CID 693153) has the molecular formula C10H7ClO3S and a molecular weight of 242.68 g/mol. Its IUPAC name is 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid
PubChem CID693153
Molecular FormulaC10H7ClO3S
Molecular Weight242.68 g/mol
Exact Mass241.98
IUPAC Name3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid
SMILESCOc1ccc2c(Cl)c(C(=O)O)sc2c1
InChIInChI=1S/C10H7ClO3S/c1-14-5-2-3-6-7(4-5)15-9(8(6)11)10(12)13/h2-4H,1H3,(H,12,13)
InChIKeyLEAIEMOBUHEQNT-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid (CID 693153) is 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid is COc1ccc2c(Cl)c(C(=O)O)sc2c1.
What is the InChIKey of 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid?
The InChIKey is LEAIEMOBUHEQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3S/c1-14-5-2-3-6-7(4-5)15-9(8(6)11)10(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid?
3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid has a molecular weight of 242.68 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 693153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).