2-methyl-5-thiophen-2-ylbenzoic acid

C12H10O2S — CID 65309680

IUPAC2-methyl-5-thiophen-2-ylbenzoic acid
SMILESCc1ccc(-c2cccs2)cc1C(=O)O
InChIInChI=1S/C12H10O2S/c1-8-4-5-9(7-10(8)12(13)14)11-3-2-6-15-11/h2-7H,1H3,(H,13,14)
InChIKeyCBANQERFCCDKIM-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.42
Rot. Bonds2

About 2-methyl-5-thiophen-2-ylbenzoic acid

2-methyl-5-thiophen-2-ylbenzoic acid (PubChem CID 65309680) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-ylbenzoic acid.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-ylbenzoic acid
PubChem CID65309680
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name2-methyl-5-thiophen-2-ylbenzoic acid
SMILESCc1ccc(-c2cccs2)cc1C(=O)O
InChIInChI=1S/C12H10O2S/c1-8-4-5-9(7-10(8)12(13)14)11-3-2-6-15-11/h2-7H,1H3,(H,13,14)
InChIKeyCBANQERFCCDKIM-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-amino-5-thiophen-2-ylbenzoic acid
CID 16768750
2-fluoro-5-thiophen-2-ylbenzoic acid
CID 16768898
4-methyl-6-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 150937146
2-(carboxymethyl)-4-thiophen-2-ylbenzoic acid
CID 121004062
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
2-methyl-5-(3-methylphenyl)benzoic acid
CID 65309585
(2-methyl-4-thiophen-2-ylphenyl) acetate
CID 174371049
2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 53222494
4-(3,5-dimethyl-4-thiophen-2-ylphenyl)-2,6-dimethylbenzoic acid
CID 141257955
5-(5-cyanothiophen-2-yl)-2-methylbenzoic acid
CID 65309109
2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119973
5-(3,4-dimethylphenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 28547704

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-ylbenzoic acid?
The IUPAC name of 2-methyl-5-thiophen-2-ylbenzoic acid (CID 65309680) is 2-methyl-5-thiophen-2-ylbenzoic acid.
What is the SMILES notation for 2-methyl-5-thiophen-2-ylbenzoic acid?
The canonical SMILES for 2-methyl-5-thiophen-2-ylbenzoic acid is Cc1ccc(-c2cccs2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-thiophen-2-ylbenzoic acid?
The InChIKey is CBANQERFCCDKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-8-4-5-9(7-10(8)12(13)14)11-3-2-6-15-11/h2-7H,1H3,(H,13,14).
What are the key properties of 2-methyl-5-thiophen-2-ylbenzoic acid?
2-methyl-5-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-5-thiophen-2-ylbenzoic acid is sourced from PubChem (CID 65309680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).