SDF/Mol File of Diphenan (C14H13NO2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Diphenan Molecule

• Chemical structure of Diphenan

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Diphenan is available in chemical structure page of Diphenan, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of Diphenan

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

  The chemical formula of Diphenan is given in chemical formula page of Diphenan, 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 Diphenan

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of Diphenan is:

  InChI=1S/C14H13NO2/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)

  It can provide a standard way to encode the molecular information of Diphenan 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 Diphenan is:

  InChIKey=ZBJBRUSGEJORQL-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for Diphenan, but it needs to be linked to the full InChI to get back to the original structure of the Diphenan since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Diphenan

  The Diphenan compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Diphenan including the registry numbers are listed below, if available:

  • SR-01000945032-1
  • CAS-101-71-3
  • p-Cresol, .alpha.-phenyl-, carbamate
  • alpha-Phenyl-p-cresol carbamate
  • U129BBY8DB
  • (4-benzylphenyl)carbamate
  • p-Cresol, carbamate
  • Phenol, carbamate
  • difenan
  • Diphenan [INN:DCF]

  • Difenano
  • Diphenanum
  • Parabencilfenol
  • C14H13NO2
  • Carbamic acid, .alpha.-phenyl-p-tolyl ester
  • p-Hydroxydiphenylmethane carbamic acid ester
  • .alpha.-Phenyl-p-cresol carbamate
  • GNF-Pf-1544
  • Phenol, 4-(phenylmethyl)-, carbamate
  • p-Cresol, alpha-phenyl-, carbamate

  • 4-Benzylphenyl carbamate
  • Diphenan, pharmaceutical
  • 4-(Phenylmethyl)phenol carbamate
  • Parabencilfenol [Spanish]
  • Diphenan (pharmaceutical)
  • Diphenanum [INN-Latin]
  • Diphenane [INN-French]
  • Difenano [INN-Spanish]
  • 101-71-3
  • p-Benzylphenyl carbamate

  • Palafuge
  • Oxybulan
  • Butolen
  • Butolan
  • Parabencil
  • Carphenol
  • Carbaurine
  • Diphenane
  • Diphenan

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Diphenan Identification Summary Frequently Asked Questions (FAQs)

What’s the Diphenan formula?
C14H13NO2
How many atoms and what elements are included in the Diphenan molecule?
30 atom(s) - 13 Hydrogen atom(s), 14 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the Diphenan structure?
31 bond(s) - 18 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), and 1 (thio-) carbamate(s) (aromatic)
What’s the Diphenan’s molar mass?
227.25852 g/mol
What’s the SMILES structure of Diphenan?
NC(=O)Oc2ccc(Cc1ccccc1)cc2
What’s the InChI code of Diphenan?
InChI=1S/C14H13NO2/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)
What’s the InChIKey format of Diphenan?
ZBJBRUSGEJORQL-UHFFFAOYSA-N

43 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).