2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid

C10H8O3S — CID 131196595

IUPAC2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid
SMILESCc1cc2sc(O)cc2cc1C(=O)O
InChIInChI=1S/C10H8O3S/c1-5-2-8-6(4-9(11)14-8)3-7(5)10(12)13/h2-4,11H,1H3,(H,12,13)
InChIKeyFSSSYLJZHVBCAU-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.61
Rot. Bonds1

About 2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid

2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid (PubChem CID 131196595) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid
PubChem CID131196595
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid
SMILESCc1cc2sc(O)cc2cc1C(=O)O
InChIInChI=1S/C10H8O3S/c1-5-2-8-6(4-9(11)14-8)3-7(5)10(12)13/h2-4,11H,1H3,(H,12,13)
InChIKeyFSSSYLJZHVBCAU-UHFFFAOYSA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid
CID 130839072
5-amino-6-methyl-1-benzothiophen-2-ol
CID 130788839
6-amino-5-methyl-1-benzothiophen-2-ol
CID 130788844
CID 162313209
CID 162313209
1-chloro-7-methylisoquinoline-6-carboxylic acid
CID 161064816
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid
CID 84676680
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol
CID 131197603
5-methylpyridine-2,4-dicarboxylic acid;hydrochloride
CID 156874397
5-iodo-2,4-dimethylbenzoic acid
CID 23091875
5,12,17,18-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11-dicarboxylic acid
CID 163726690

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid?
The IUPAC name of 2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid (CID 131196595) is 2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid.
What is the SMILES notation for 2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid?
The canonical SMILES for 2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid is Cc1cc2sc(O)cc2cc1C(=O)O.
What is the InChIKey of 2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid?
The InChIKey is FSSSYLJZHVBCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c1-5-2-8-6(4-9(11)14-8)3-7(5)10(12)13/h2-4,11H,1H3,(H,12,13).
What are the key properties of 2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid?
2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid is sourced from PubChem (CID 131196595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).