Structure & Deep Data of Lunularin (C14H14O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Lunularin molecule contains a total of 31 bond(s). There are 17 non-H bond(s), 12 multiple bond(s), 3 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 2 aromatic hydroxyl(s). Images of the chemical structure of Lunularin are given below:

The 2D chemical structure image of Lunularin is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Lunularin 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 Lunularin 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 Lunularin. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Lunularin Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Lunularin

  The SMILES string of Lunularin is Oc2ccc(CCc1cccc(O)c1)cc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Lunularin.

• Structure Data File (SDF/MOL File) of Lunularin

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

• Chemical formula of Lunularin

  The molecular formula of Lunularin is available in chemical formula page of Lunularin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Lunularin

  The molecular weight of Lunularin is available in molecular weight page of Lunularin, 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 Lunularin

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

  • 1-(4-Hydroxyphenyl)-2-(3-hydroxyphenyl)ethane
  • LMPK13090039
  • 3,4'-(ethane-1,2-diyl)diphenol
  • 3-(4-Hydroxyphenethyl)phenol
  • 3,4'-Ethylenebisphenol
  • 37116-80-6
  • Lunularin

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Lunularin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Lunularin?
C14H14O2
How many atoms and what are the elements included the Lunularin molecule?
30 atom(s) - 14 Hydrogen atom(s), 14 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Lunularin structure?
31 bond(s) - 17 non-H bond(s), 12 multiple bond(s), 3 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 2 aromatic hydroxyl(s)
What’s the Lunularin’s molecular weight?
214.25976 g/mol
What’s the SMILES code of Lunularin?
Oc2ccc(CCc1cccc(O)c1)cc2
What’s the InChI string of Lunularin?
InChI=1S/C14H14O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-3,6-10,15-16H,4-5H2
What’s the InChIKey code of Lunularin?
ILEYXPCRQKRNIJ-UHFFFAOYSA-N

39 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).