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

C11H10O3S — CID 23532368

IUPAC7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid
SMILESCOc1cc(C)cc2cc(C(=O)O)sc12
InChIInChI=1S/C11H10O3S/c1-6-3-7-5-9(11(12)13)15-10(7)8(4-6)14-2/h3-5H,1-2H3,(H,12,13)
InChIKeyOFQMTMVQHNQAOM-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.92
Rot. Bonds2

About 7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid

7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid (PubChem CID 23532368) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is 7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid
PubChem CID23532368
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Name7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid
SMILESCOc1cc(C)cc2cc(C(=O)O)sc12
InChIInChI=1S/C11H10O3S/c1-6-3-7-5-9(11(12)13)15-10(7)8(4-6)14-2/h3-5H,1-2H3,(H,12,13)
InChIKeyOFQMTMVQHNQAOM-UHFFFAOYSA-N
XLogP2.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-5-methyl-1-benzothiophene-2-carboxylic acid
CID 118444652
5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 106681054
5-iodo-4-methoxythiophene-2-carboxylic acid
CID 112706192
7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid
CID 90141254
4,5-dimethoxythiophene-2-carboxylic acid
CID 69334026
6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid
CID 67184797
7-bromo-4-methoxy-1-benzothiophene-2-carboxylic acid
CID 22721627
(5-amino-7-methoxy-1-benzothiophen-2-yl)-(4-methoxyphenyl)methanone
CID 72735075
3-methoxy-5-methylphthalic acid
CID 12908895
7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid
CID 121413599
5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 116810851
methyl 4-[4-(5,7-dimethyl-1-benzothiophen-2-yl)-4-oxobutanoyl]benzoate
CID 10595941

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid (CID 23532368) is 7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid is COc1cc(C)cc2cc(C(=O)O)sc12.
What is the InChIKey of 7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid?
The InChIKey is OFQMTMVQHNQAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-6-3-7-5-9(11(12)13)15-10(7)8(4-6)14-2/h3-5H,1-2H3,(H,12,13).
What are the key properties of 7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid?
7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid has a molecular weight of 222.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 23532368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).