4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid

C10H12O3S — CID 83909751

IUPAC4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid
SMILESCc1cc2c(s1)CCCC2(O)C(=O)O
InChIInChI=1S/C10H12O3S/c1-6-5-7-8(14-6)3-2-4-10(7,13)9(11)12/h5,13H,2-4H2,1H3,(H,11,12)
InChIKeyHVIGBOLYNMNQPE-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.67
Rot. Bonds1

About 4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid

4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid (PubChem CID 83909751) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid
PubChem CID83909751
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid
SMILESCc1cc2c(s1)CCCC2(O)C(=O)O
InChIInChI=1S/C10H12O3S/c1-6-5-7-8(14-6)3-2-4-10(7,13)9(11)12/h5,13H,2-4H2,1H3,(H,11,12)
InChIKeyHVIGBOLYNMNQPE-UHFFFAOYSA-N
XLogP1.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid?
The IUPAC name of 4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid (CID 83909751) is 4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid is Cc1cc2c(s1)CCCC2(O)C(=O)O.
What is the InChIKey of 4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid?
The InChIKey is HVIGBOLYNMNQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-6-5-7-8(14-6)3-2-4-10(7,13)9(11)12/h5,13H,2-4H2,1H3,(H,11,12).
What are the key properties of 4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid?
4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophene-4-carboxylic acid is sourced from PubChem (CID 83909751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).