SDF/Mol File of Lunularin (C14H14O2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Lunularin Molecule

• Chemical structure of Lunularin

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Lunularin is available in chemical structure page of Lunularin, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of Lunularin

  The chemical formula of Lunularin is given 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.

• InChI (IUPAC International Chemical Identifier) information of Lunularin

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of Lunularin is:

  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

  It can provide a standard way to encode the molecular information of Lunularin to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Lunularin is:

  InChIKey=ILEYXPCRQKRNIJ-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for Lunularin, but it needs to be linked to the full InChI to get back to the original structure of the Lunularin since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Lunularin

  The Lunularin compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Lunularin including the registry numbers are listed below, 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 Lunularin formula?
C14H14O2
How many atoms and what elements are included in 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 in 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 molar mass?
214.25976 g/mol
What’s the SMILES structure of Lunularin?
Oc2ccc(CCc1cccc(O)c1)cc2
What’s the InChI code 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 format of Lunularin?
ILEYXPCRQKRNIJ-UHFFFAOYSA-N

18 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).