5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid

C14H14O2S — CID 28941894

IUPAC5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid
SMILESCc1cc(C)c(-c2ccc(C(=O)O)s2)c(C)c1
InChIInChI=1S/C14H14O2S/c1-8-6-9(2)13(10(3)7-8)11-4-5-12(17-11)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyKRVQNZWUCJAZTJ-UHFFFAOYSA-N
MW246.33 g/mol
LogP4.04
Rot. Bonds2

About 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid

5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid (PubChem CID 28941894) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid
PubChem CID28941894
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid
SMILESCc1cc(C)c(-c2ccc(C(=O)O)s2)c(C)c1
InChIInChI=1S/C14H14O2S/c1-8-6-9(2)13(10(3)7-8)11-4-5-12(17-11)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyKRVQNZWUCJAZTJ-UHFFFAOYSA-N
XLogP4.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Benzo(b)thiophene-2-carboxylic acid
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CID 695450
Agn 191701
CID 6438168
2-(2-Thienylcarbonyl)benzoic acid
CID 282654
Indralin
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Dibenzothiophene-4-carboxylic acid
CID 29886
4-(Thiophen-2-yl)benzoic acid
CID 736498
4-(3-Thienyl)benzoic acid
CID 736862
5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2998934

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid (CID 28941894) is 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid is Cc1cc(C)c(-c2ccc(C(=O)O)s2)c(C)c1.
What is the InChIKey of 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid?
The InChIKey is KRVQNZWUCJAZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-8-6-9(2)13(10(3)7-8)11-4-5-12(17-11)14(15)16/h4-7H,1-3H3,(H,15,16).
What are the key properties of 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid?
5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid has a molecular weight of 246.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 28941894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).