2-methyl-6-thiophen-2-ylbenzoic acid

C12H10O2S — CID 53224798

IUPAC2-methyl-6-thiophen-2-ylbenzoic acid
SMILESCc1cccc(-c2cccs2)c1C(=O)O
InChIInChI=1S/C12H10O2S/c1-8-4-2-5-9(11(8)12(13)14)10-6-3-7-15-10/h2-7H,1H3,(H,13,14)
InChIKeyVSWSGVVFRSNYES-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.42
Rot. Bonds2

About 2-methyl-6-thiophen-2-ylbenzoic acid

2-methyl-6-thiophen-2-ylbenzoic acid (PubChem CID 53224798) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-methyl-6-thiophen-2-ylbenzoic acid.

Molecular Properties

Compound Name2-methyl-6-thiophen-2-ylbenzoic acid
PubChem CID53224798
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name2-methyl-6-thiophen-2-ylbenzoic acid
SMILESCc1cccc(-c2cccs2)c1C(=O)O
InChIInChI=1S/C12H10O2S/c1-8-4-2-5-9(11(8)12(13)14)10-6-3-7-15-10/h2-7H,1H3,(H,13,14)
InChIKeyVSWSGVVFRSNYES-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 151454780
1-(2,6-dimethylphenyl)-2-(2-thiophen-2-ylphenyl)prop-2-en-1-one
CID 58615714
4-methyl-6-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 150937146
CID 67822914
CID 67822914
4-(3,5-dimethyl-4-thiophen-2-ylphenyl)-2,6-dimethylbenzoic acid
CID 141257955
methyl 2-hydroxy-6-thiophen-2-ylbenzoate
CID 15679686
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
3-thiophen-2-ylfuran-2-carboxylic acid
CID 8893249
2-(2,6-dimethylphenyl)thiophene
CID 58838883
2-[2-[(E)-1-[(E)-but-2-en-2-yl]sulfanyl-2,3-dimethylbut-1-enyl]-3-methylphenyl]thiophene
CID 142972232
2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 82290615
3-methyl-2-thiophen-2-ylbenzamide
CID 67400493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-thiophen-2-ylbenzoic acid?
The IUPAC name of 2-methyl-6-thiophen-2-ylbenzoic acid (CID 53224798) is 2-methyl-6-thiophen-2-ylbenzoic acid.
What is the SMILES notation for 2-methyl-6-thiophen-2-ylbenzoic acid?
The canonical SMILES for 2-methyl-6-thiophen-2-ylbenzoic acid is Cc1cccc(-c2cccs2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-thiophen-2-ylbenzoic acid?
The InChIKey is VSWSGVVFRSNYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-8-4-2-5-9(11(8)12(13)14)10-6-3-7-15-10/h2-7H,1H3,(H,13,14).
What are the key properties of 2-methyl-6-thiophen-2-ylbenzoic acid?
2-methyl-6-thiophen-2-ylbenzoic acid has a molecular weight of 218.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-thiophen-2-ylbenzoic acid is sourced from PubChem (CID 53224798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).