Structure & Deep Data of Vanitrope (C11H14O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Vanitrope molecule contains a total of 27 bond(s). There are 13 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 aromatic hydroxyl(s), and 1 ether(s) (aromatic). Images of the chemical structure of Vanitrope are given below:

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

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Additional Information for Identifying Vanitrope Molecule

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

  The SMILES string of Vanitrope is CCOc1ccc(C=CC)cc1O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Vanitrope.

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

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

• Chemical formula of Vanitrope

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

• Molecular weight of Vanitrope

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

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

  • W-100180
  • I01-6007
  • C-24795
  • A845117
  • trans-2-Ethoxy-5-(1-propenyl)phenol, 97%
  • 1-Ethoxy-2-hydroxy-4-(1-propenyl)benzene
  • 2-ethoxy-5-[(E)-prop-1-enyl]-phenol
  • Propenyl guaethol, >=99%, FCC, FG
  • RTR-029620
  • MFCD00009283

  • 5-propenylguaethol
  • iso safroeugenol
  • FEMA No. 2922
  • 3-Propenyl-6-ethoxyphenol
  • PHENOL, 2-ETHOXY-5-(1-PROPENYL)-
  • m-Anol, 6-ethoxy-
  • 2-ethoxy-5-[(E)-prop-1-enyl]phenol
  • Hydroxymethyl anethole
  • 2-ethoxy-5-(prop-1-en-1-yl)phenol
  • Propenyl guaethol

  • 1-Ethoxy-2-hydroxy-4-propenylbenzene
  • 2-Ethoxy-5-(1-propenyl)phenol
  • Phenol, 2-ethoxy-5-propenyl-
  • trans-2-Ethoxy-5-(1-propenyl)phenol
  • Propenylguaethol
  • Hydroxy methyl anethol
  • 2-Ethoxy-5-propenylphenol
  • 2-Ethoxy-5-prop-1-enylphenol
  • Isosafroeugenol
  • 6-Ethoxy-m-anol

  • 94-86-0
  • Vanitrope
  • T8315
  • E0804

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Vanitrope Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Vanitrope?
C11H14O2
How many atoms and what are the elements included the Vanitrope molecule?
27 atom(s) - 14 Hydrogen atom(s), 11 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Vanitrope structure?
27 bond(s) - 13 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 aromatic hydroxyl(s), and 1 ether(s) (aromatic)
What’s the Vanitrope’s molecular weight?
178.22766 g/mol
What’s the SMILES code of Vanitrope?
CCOc1ccc(C=CC)cc1O
What’s the InChI string of Vanitrope?
InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+
What’s the InChIKey code of Vanitrope?
RADIRXJQODWKGQ-HWKANZROSA-N

2047 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).