SDF/Mol File of 1-[4-(benzyloxy)-2-methylphenyl]ethanone (C16H16O2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 1-[4-(benzyloxy)-2-methylphenyl]ethanone Molecule

• Chemical structure of 1-[4-(benzyloxy)-2-methylphenyl]ethanone

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1-[4-(benzyloxy)-2-methylphenyl]ethanone is available in chemical structure page of 1-[4-(benzyloxy)-2-methylphenyl]ethanone, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 1-[4-(benzyloxy)-2-methylphenyl]ethanone

  The molecular weight of 1-[4-(benzyloxy)-2-methylphenyl]ethanone is available in molecular weight page of 1-[4-(benzyloxy)-2-methylphenyl]ethanone, 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 1-[4-(benzyloxy)-2-methylphenyl]ethanone

  The chemical formula of 1-[4-(benzyloxy)-2-methylphenyl]ethanone is given in chemical formula page of 1-[4-(benzyloxy)-2-methylphenyl]ethanone, 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 1-[4-(benzyloxy)-2-methylphenyl]ethanone

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1-[4-(benzyloxy)-2-methylphenyl]ethanone is:

  InChI=1S/C16H16O2/c1-12-10-15(8-9-16(12)13(2)17)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3

  It can provide a standard way to encode the molecular information of 1-[4-(benzyloxy)-2-methylphenyl]ethanone 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 1-[4-(benzyloxy)-2-methylphenyl]ethanone is:

  InChIKey=UGIGSWZYZVRDAK-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 1-[4-(benzyloxy)-2-methylphenyl]ethanone, but it needs to be linked to the full InChI to get back to the original structure of the 1-[4-(benzyloxy)-2-methylphenyl]ethanone since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 1-[4-(benzyloxy)-2-methylphenyl]ethanone

  The 1-[4-(benzyloxy)-2-methylphenyl]ethanone compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1-[4-(benzyloxy)-2-methylphenyl]ethanone including the registry numbers are listed below, if available:

  • Ethanone, 1-[2-methyl-4-(phenylmethoxy)phenyl]-
  • 1-{2-Methyl-4-[(phenylmethyl)oxy]phenyl}ethanone
  • AB00318829-04
  • 1-acetyl-2-methyl-4-(phenylmethoxy)benzene
  • 1-(2-methyl-4-phenylmethoxyphenyl)ethanone
  • 1-(4-Benzyloxy-2-methyl-phenyl)-ethanone
  • 1-(4-benzyloxy-2-methylphenyl)-ethanone
  • 2'-Methyl-4'-(benzyloxy)acetophenone
  • 1-(4-(benzyloxy)-2-methylphenyl)ethanone
  • 608119-82-0

  • 1-[2-methyl-4-(phenylmethoxy)phenyl]Ethanone
  • 1-[4-(benzyloxy)-2-methylphenyl]ethanone

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1-[4-(benzyloxy)-2-methylphenyl]ethanone Identification Summary Frequently Asked Questions (FAQs)

What’s the 1-[4-(benzyloxy)-2-methylphenyl]ethanone formula?
C16H16O2
How many atoms and what elements are included in the 1-[4-(benzyloxy)-2-methylphenyl]ethanone molecule?
34 atom(s) - 16 Hydrogen atom(s), 16 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 1-[4-(benzyloxy)-2-methylphenyl]ethanone structure?
35 bond(s) - 19 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 ketone(s) (aromatic), and 1 ether(s) (aromatic)
What’s the 1-[4-(benzyloxy)-2-methylphenyl]ethanone’s molar mass?
240.29704 g/mol
What’s the SMILES structure of 1-[4-(benzyloxy)-2-methylphenyl]ethanone?
CC(=O)c2ccc(OCc1ccccc1)cc2C
What’s the InChI code of 1-[4-(benzyloxy)-2-methylphenyl]ethanone?
InChI=1S/C16H16O2/c1-12-10-15(8-9-16(12)13(2)17)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
What’s the InChIKey format of 1-[4-(benzyloxy)-2-methylphenyl]ethanone?
UGIGSWZYZVRDAK-UHFFFAOYSA-N

16 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).