Structure & Deep Data of Ethyl 4-(2-iodophenyl)butanoate (C12H15IO2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The ethyl 4-(2-iodophenyl)butanoate molecule contains a total of 30 bond(s). There are 15 non-H bond(s), 7 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 ester(s) (aliphatic). Images of the chemical structure of ethyl 4-(2-iodophenyl)butanoate are given below:

The 2D chemical structure image of ethyl 4-(2-iodophenyl)butanoate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ethyl 4-(2-iodophenyl)butanoate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of ethyl 4-(2-iodophenyl)butanoate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of ethyl 4-(2-iodophenyl)butanoate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Ethyl 4-(2-iodophenyl)butanoate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of ethyl 4-(2-iodophenyl)butanoate

  The SMILES string of ethyl 4-(2-iodophenyl)butanoate is CCOC(=O)CCCc1ccccc1I, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the ethyl 4-(2-iodophenyl)butanoate.

• Structure Data File (SDF/MOL File) of ethyl 4-(2-iodophenyl)butanoate

  The structure data file (SDF/MOL File) of ethyl 4-(2-iodophenyl)butanoate is available for download in the SDF page of ethyl 4-(2-iodophenyl)butanoate, which provides the information about the atoms, bonds, connectivity and coordinates of ethyl 4-(2-iodophenyl)butanoate. The ethyl 4-(2-iodophenyl)butanoate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of ethyl 4-(2-iodophenyl)butanoate

  The molecular formula of ethyl 4-(2-iodophenyl)butanoate is available in chemical formula page of ethyl 4-(2-iodophenyl)butanoate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of ethyl 4-(2-iodophenyl)butanoate

  The molecular weight of ethyl 4-(2-iodophenyl)butanoate is available in molecular weight page of ethyl 4-(2-iodophenyl)butanoate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of ethyl 4-(2-iodophenyl)butanoate

  The ethyl 4-(2-iodophenyl)butanoate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ethyl 4-(2-iodophenyl)butanoate including the various registry numbers, if available:

  
  
  None available.

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Ethyl 4-(2-iodophenyl)butanoate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of ethyl 4-(2-iodophenyl)butanoate?
C12H15IO2
How many atoms and what are the elements included the ethyl 4-(2-iodophenyl)butanoate molecule?
30 atom(s) - 15 Hydrogen atom(s), 12 Carbon atom(s), 2 Oxygen atom(s), and 1 Iodine atom(s)
How many chemical bonds and what kind of bonds are included the ethyl 4-(2-iodophenyl)butanoate structure?
30 bond(s) - 15 non-H bond(s), 7 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 ester(s) (aliphatic)
What’s the ethyl 4-(2-iodophenyl)butanoate’s molecular weight?
318.15077 g/mol
What’s the SMILES code of ethyl 4-(2-iodophenyl)butanoate?
CCOC(=O)CCCc1ccccc1I
What’s the InChI string of ethyl 4-(2-iodophenyl)butanoate?
InChI=1S/C12H15IO2/c1-2-15-12(14)9-5-7-10-6-3-4-8-11(10)13/h3-4,6,8H,2,5,7,9H2,1H3
What’s the InChIKey code of ethyl 4-(2-iodophenyl)butanoate?
KESRHTIIXQWKJO-UHFFFAOYSA-N

28 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).