Question

Which of the following are Correctly matche \(\begin{aligned}&\text { Coloumn I } & \text { Coloumn II }\end{aligned}\) (a) CC(=O)Nc1ccc(C)cc1 Phenacetin (b) CC(=O)Nc1ccc(O)cc1 Paracetamol(c) CC(=O)Oc1ccccc1C(=O)O Aspirin (d) CC1=CCC(CO)CC1 \(\alpha\)-Terpineol

Short answer

A, B, C are correctly matched; D is not correctly matched.

Step-by-step solution

Convert SMILES to Structures

The SMILES notation is a way to represent molecules using short ASCII strings. To determine if the matches are correct, we first need to convert each SMILES string into its corresponding chemical structure.

Analyze Each Structure

(a) SMILES: `CC(=O)Nc1ccc(C)cc1` - This represents a molecule with an acetyl group linked to an aniline derivative with a methyl group, which is consistent with Phenacetin.(b) SMILES: `CC(=O)Nc1ccc(O)cc1` - This structure has an acetyl group attached to a para-substituted aniline with a hydroxyl group, characteristic of Paracetamol.(c) SMILES: `CC(=O)Oc1ccccc1C(=O)O` - Describes a benzene ring bonded to an acetoxy group and a carboxylic acid group, which matches the structure of Aspirin.(d) SMILES: `CC1=CCC(CO)CC1` - Shows a cyclohexene ring with a hydroxymethyl group, not matching the structure of \(\alpha\)-Terpineol, which is a terpene alcohol with a more complex structure.

Match Structures to Names

(a) The SMILES structure corresponds to Phenacetin. Correct.(b) The SMILES structure corresponds to Paracetamol. Correct.(c) The SMILES structure corresponds to Aspirin. Correct.(d) The SMILES structure does not correspond to \(\alpha\)-Terpineol. Incorrect.

Verify Matches

Verify by cross-referencing with known chemical structures for each name to ensure that the SMILES codes are correctly matched to the names as analyzed above.

Key concepts

SMILES notation

SMILES stands for Simplified Molecular Input Line Entry System. It is a shorthand notation for representing molecular structures in a simple, text-based format. This makes it ideal for input into computer programs and databases.

SMILES strings translate the 2D structure of molecules into a linear string of characters, using symbols such as:

• Atoms: Represented by atomic symbols (e.g., 'C' for carbon, 'O' for oxygen).
• Bonds: Implicitly derived, but special bonds like double '=' and triple '#' are explicitly indicated.
• Rings: Closed using numbers to denote start and end points.

To accurately understand a SMILES string, one must decipher these elements and visualize the molecule's structure. This allows chemists to easily share and analyze chemical data.

Molecular structures

Understanding molecular structures is crucial to predicting how a molecule behaves and reacts with other substances. A molecular structure describes the arrangement of atoms in a molecule and the chemical bonds that hold them together.

These structures help chemists determine the chemical and physical properties of the compound, like boiling points, acidity, and reactivity. Structures can be represented in several ways:

• Lewis Structures: Illustrate bonds using dots or lines.
• 3D Models: Provide a spatial understanding of molecule shape, which is vital in stereochemistry.
• Ball-and-stick or Space-filling Models: Offer a tangible view, showing how atoms are physically connected.

Knowing a molecule's structure aids in predicting reactions and synthesizing new compounds.

Aniline derivatives

Aniline is an organic compound with the formula C₆H₅NH₂. Its derivatives are formed by substituting one or more hydrogen atoms with functional groups in the aromatic ring or on the amine group. This leads to a vast range of compounds with diverse applications.

Common traits of aniline derivatives include:

• Aromatic Nature: Aniline retains the benzene ring's stability, making its derivatives very stable.
• Amino Group Reactivity: The NH₂ group is able to participate in further reactions, making aniline a versatile starting point for other reactions.

They are widely utilized in dyes, pharmaceuticals, and as building blocks in organic synthesis.

Chemical analysis

Chemical analysis refers to techniques and processes used to determine the composition of substances. It aims to identify what elements or compounds are present, how much of each is present, and what the overall structure is.

There are several methods of chemical analysis:

• Qualitative Analysis: Determines what substances are present.
• Quantitative Analysis: Measures the exact amounts of substances.
• Spectral methods (e.g., Infrared, UV-Vis spectroscopy): Analyze the interaction of light with a substance to provide insights into its structure.

These techniques are fundamental in chemical research and industry, ensuring the accurate formulation and quality control of products.