Structure & Deep Data of 3-ETHYLPHENOL (C8H10O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3-ETHYLPHENOL molecule contains a total of 19 bond(s). There are 9 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 aromatic hydroxyl(s). Images of the chemical structure of 3-ETHYLPHENOL are given below:

The 2D chemical structure image of 3-ETHYLPHENOL is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-ETHYLPHENOL 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 3-ETHYLPHENOL 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 3-ETHYLPHENOL. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 3-ETHYLPHENOL Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 3-ETHYLPHENOL

  The SMILES string of 3-ETHYLPHENOL is CCc1cccc(O)c1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-ETHYLPHENOL.

• Structure Data File (SDF/MOL File) of 3-ETHYLPHENOL

  The structure data file (SDF/MOL File) of 3-ETHYLPHENOL is available for download in the SDF page of 3-ETHYLPHENOL, which provides the information about the atoms, bonds, connectivity and coordinates of 3-ETHYLPHENOL. The 3-ETHYLPHENOL structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 3-ETHYLPHENOL

  The molecular formula of 3-ETHYLPHENOL is available in chemical formula page of 3-ETHYLPHENOL, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 3-ETHYLPHENOL

  The molecular weight of 3-ETHYLPHENOL is available in molecular weight page of 3-ETHYLPHENOL, 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 3-ETHYLPHENOL

  The 3-ETHYLPHENOL compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-ETHYLPHENOL including the various registry numbers, if available:

  • C-28074
  • BBV-46884108
  • ZX-AN024957
  • Q-200377
  • I01-7336
  • 3-Ethylphenol, PESTANAL(R), analytical standard
  • E0161
  • A8582
  • 3-Ethylphenol, technical grade, 80%
  • 3-Ethylphenol, >=95.0% (GC)

  • MFCD00002311
  • ANW-34039
  • ALBB-026446
  • 0G9ZK222JX
  • BIDD:ER0180
  • Ambap620-17-7
  • Phenol, m-ethyl- (8CI)
  • 3-Ethylphenol, 99%
  • m-Ethyl phenol
  • 3-ETHYL PHENOL

  • CAS-620-17-7
  • Benzene, 1-ethyl-3-hydroxy-
  • 3-Ethyl-phenol
  • meta-Ethylphenol
  • 1-Hydroxy-3-ethylbenzene
  • 1-Ethyl-3-hydroxybenzene
  • Phenol, m-ethyl-
  • Phenol, 3-ethyl-
  • 620-17-7
  • m-Ethylphenol

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3-ETHYLPHENOL Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-ETHYLPHENOL?
C8H10O
How many atoms and what are the elements included the 3-ETHYLPHENOL molecule?
19 atom(s) - 10 Hydrogen atom(s), 8 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 3-ETHYLPHENOL structure?
19 bond(s) - 9 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 aromatic hydroxyl(s)
What’s the 3-ETHYLPHENOL’s molecular weight?
122.1644 g/mol
What’s the SMILES code of 3-ETHYLPHENOL?
CCc1cccc(O)c1
What’s the InChI string of 3-ETHYLPHENOL?
InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
What’s the InChIKey code of 3-ETHYLPHENOL?
HMNKTRSOROOSPP-UHFFFAOYSA-N

1266 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).