Structure & Deep Data of 3-Diethylaminomethyl-4-hydroxybiphenyl (C17H21NO)

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-Diethylaminomethyl-4-hydroxybiphenyl molecule contains a total of 41 bond(s). There are 20 non-H bond(s), 12 multiple bond(s), 5 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 tertiary amine(s) (aliphatic), and 1 aromatic hydroxyl(s). Images of the chemical structure of 3-Diethylaminomethyl-4-hydroxybiphenyl are given below:

The 2D chemical structure image of 3-Diethylaminomethyl-4-hydroxybiphenyl is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-Diethylaminomethyl-4-hydroxybiphenyl 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-Diethylaminomethyl-4-hydroxybiphenyl 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-Diethylaminomethyl-4-hydroxybiphenyl. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 3-Diethylaminomethyl-4-hydroxybiphenyl Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 3-Diethylaminomethyl-4-hydroxybiphenyl

  The SMILES string of 3-Diethylaminomethyl-4-hydroxybiphenyl is CCN(CC)Cc1cc(ccc1O)c2ccccc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-Diethylaminomethyl-4-hydroxybiphenyl.

• Structure Data File (SDF/MOL File) of 3-Diethylaminomethyl-4-hydroxybiphenyl

  The structure data file (SDF/MOL File) of 3-Diethylaminomethyl-4-hydroxybiphenyl is available for download in the SDF page of 3-Diethylaminomethyl-4-hydroxybiphenyl, which provides the information about the atoms, bonds, connectivity and coordinates of 3-Diethylaminomethyl-4-hydroxybiphenyl. The 3-Diethylaminomethyl-4-hydroxybiphenyl structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 3-Diethylaminomethyl-4-hydroxybiphenyl

  The molecular formula of 3-Diethylaminomethyl-4-hydroxybiphenyl is available in chemical formula page of 3-Diethylaminomethyl-4-hydroxybiphenyl, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 3-Diethylaminomethyl-4-hydroxybiphenyl

  The molecular weight of 3-Diethylaminomethyl-4-hydroxybiphenyl is available in molecular weight page of 3-Diethylaminomethyl-4-hydroxybiphenyl, 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-Diethylaminomethyl-4-hydroxybiphenyl

  The 3-Diethylaminomethyl-4-hydroxybiphenyl 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-Diethylaminomethyl-4-hydroxybiphenyl including the various registry numbers, if available:

  • 3-[(Diethylamino)methyl]biphenyl-4-ol
  • 2-(diethylaminomethyl)-4-phenylphenol
  • 3-((DIETHYLAMINO)METHYL)-4-HYDROXYBIPHENYL
  • 3-((Diethylamino)methyl)(1,1'-biphenyl)-4-ol
  • (1,1'-BIPHENYL)-4-OL, 3-((DIETHYLAMINO)METHYL)-
  • 3-Diethylaminomethyl-4-hydroxybiphenyl
  • 66840-00-4

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3-Diethylaminomethyl-4-hydroxybiphenyl Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-Diethylaminomethyl-4-hydroxybiphenyl?
C17H21NO
How many atoms and what are the elements included the 3-Diethylaminomethyl-4-hydroxybiphenyl molecule?
40 atom(s) - 21 Hydrogen atom(s), 17 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 3-Diethylaminomethyl-4-hydroxybiphenyl structure?
41 bond(s) - 20 non-H bond(s), 12 multiple bond(s), 5 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 tertiary amine(s) (aliphatic), and 1 aromatic hydroxyl(s)
What’s the 3-Diethylaminomethyl-4-hydroxybiphenyl’s molecular weight?
255.35474 g/mol
What’s the SMILES code of 3-Diethylaminomethyl-4-hydroxybiphenyl?
CCN(CC)Cc1cc(ccc1O)c2ccccc2
What’s the InChI string of 3-Diethylaminomethyl-4-hydroxybiphenyl?
InChI=1S/C17H21NO/c1-3-18(4-2)13-16-12-15(10-11-17(16)19)14-8-6-5-7-9-14/h5-12,19H,3-4,13H2,1-2H3
What’s the InChIKey code of 3-Diethylaminomethyl-4-hydroxybiphenyl?
XEFLSZGUWJUOQN-UHFFFAOYSA-N

34 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).