Structure & Deep Data of Propranolol glycol (C13H14O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Propranolol glycol molecule contains a total of 31 bond(s). There are 17 non-H bond(s), 11 multiple bond(s), 4 rotatable bond(s), 11 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 2 hydroxyl group(s), 1 primary alcohol(s), 1 secondary alcohol(s), and 1 ether(s) (aromatic). Images of the chemical structure of Propranolol glycol are given below:

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

---

Search Another Chemical Structure

Enter another compound to search for chemical structure:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying Propranolol glycol Molecule

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

  The SMILES string of Propranolol glycol is OCC(O)COc1cccc2ccccc12, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Propranolol glycol.

• Structure Data File (SDF/MOL File) of Propranolol glycol

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

• Chemical formula of Propranolol glycol

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

• Molecular weight of Propranolol glycol

  The molecular weight of Propranolol glycol is available in molecular weight page of Propranolol glycol, 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 Propranolol glycol

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

  • Propranolol glycol|2,3-Dihydroxy-1-(1-naphthalenoxy)propane
  • 3-(1-Naphthalenyloxy)-1,2-propanediol, analytical standard
  • Z1650164253
  • 1-(.alpha.-Naphthoxy)-2,3-propylene glycol
  • 3-(.alpha.-Naphthoxy)-1,2-propanediol
  • 3-(1-Naphthyloxy)-1,2-propanediol #
  • 3-naphthalen-1-yloxypropane-1,2-diol
  • 1,2-PROPANEDIOL, 3-(1-NAPHTHYLOXY)-
  • GNF-Pf-4919
  • 3-(alpha-Naphthoxy)-1,2-propanediol

  • 1,2-Propanediol, 3-(1-naphthalenyloxy)-
  • Naphthalene, 1-(2,3-dihydroxypropoxy)-
  • 1-(2,3-Dihydroxypropoxy)naphthalene
  • Propanolol glycol
  • Propranolol glycol
  • 36112-95-5

---

Propranolol glycol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Propranolol glycol?
C13H14O3
How many atoms and what are the elements included the Propranolol glycol molecule?
30 atom(s) - 14 Hydrogen atom(s), 13 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Propranolol glycol structure?
31 bond(s) - 17 non-H bond(s), 11 multiple bond(s), 4 rotatable bond(s), 11 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 2 hydroxyl group(s), 1 primary alcohol(s), 1 secondary alcohol(s), and 1 ether(s) (aromatic)
What’s the Propranolol glycol’s molecular weight?
218.24846 g/mol
What’s the SMILES code of Propranolol glycol?
OCC(O)COc1cccc2ccccc12
What’s the InChI string of Propranolol glycol?
InChI=1S/C13H14O3/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-15H,8-9H2
What’s the InChIKey code of Propranolol glycol?
BYNNMWGWFIGTIC-UHFFFAOYSA-N

14 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).