Structure & Deep Data of Phenol (C6H6O)

Chemical Structure Description

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

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

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Additional Information for Identifying Phenol Molecule

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

  The SMILES string of phenol is Oc1ccccc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the phenol.

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

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

• Chemical formula of phenol

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

• Molecular weight of phenol

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

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

  • BBV-46883725
  • Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached)
  • Phenol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.5 mmol/g loading, 1 % cross-linked with divinylbenzene
  • Phenol solution, Equilibrated with 10??mM Tris HCl, pH??8.0, 1??mM EDTA, BioReagent, for molecular biology
  • Phenol solution, BioReagent, Saturated with 0.1 M citrate buffer, pH??4.3 +/- 0.2, for molecular biology
  • 8002-07-1
  • 50356-25-7
  • 14534-23-7
  • Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC)
  • Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%

  • Phenol solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard
  • Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%
  • Phenol, pharmaceutical secondary standard; traceable to USP and PhEur
  • Phenol solution, certified reference material, 500 mug/mL in methanol
  • Phenol solution, 5000 mug/mL in methanol, certified reference material
  • Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T)
  • Liquified Phenol, meets USP testing specifications, >=89.0%
  • Phenol, United States Pharmacopeia (USP) Reference Standard
  • Phenol, BioUltra, for molecular biology, >=99.5% (GC)
  • p-Hydroxy polystyrene (100-200 mesh, 0.5-1.5 mmol/g)

  • Phenol, unstabilized, purified by redistillation, >=99%
  • F1908-0106
  • I14-62966
  • Phenol, for molecular biology, ~90% (T), liquid
  • J-610001
  • I01-9247
  • 1,3-Butadiene,2-methyl-,homopolymer,phenol-modified
  • Phenol, >=96.0% (calc. on dry substance, T)
  • Phenol, p.a., ACS reagent, 99.5-100.5%
  • Phenol, unstabilized, ReagentPlus(R), >=99%

  • D00033
  • Phenol stock solution, 100 mg/dL, standard
  • P1610
  • H2391
  • Phenol, PESTANAL(R), analytical standard
  • GOOD NEIGHBOR PHARMACY SORE THROAT
  • 73607-76-8
  • 68071-29-4
  • 65996-83-0
  • 63496-48-0

  • 61788-41-8
  • Phenol, JIS special grade, >=99.0%
  • Phenol, detached crystals, 99% 100g
  • Phenol, BP grade 80% aqueous solution
  • UN 2821
  • UN 2312
  • UN 1671
  • RTR-002010
  • Phenol, SAJ first grade, >=98.0%
  • Phenol, BioXtra, >=99.5% (GC)

  • Phenol solutions [UN2821] [Poison]
  • NA 2821
  • Sterile Diluent for Allergenic Extract
  • Phenol, molten [UN2312] [Poison]
  • Eos Medicated Pain Relieving Lip Balm
  • Phenol, solid [UN1671] [Poison]
  • MFCD03703209
  • ANW-15995
  • MODIFIED POLYPHENYLENE ETHER
  • 139-02-6 (hydrochloride salt)

  • LTBB002354
  • HEALTHY ACCENTS SORE THROAT
  • 3f39
  • Sore Throat Relief Cherry Flavor
  • Phenolated water for disinfection
  • Phenol for disinfection (JP17)
  • HMDB00228
  • BDBM26187
  • Phenol, AR, >=99.5%
  • Chloraseptic Sore Throat Menthol

  • Cuticura pain relieving ointment
  • phenylic acid, phenyl hydroxide
  • Chloraseptic Sore Throat Citrus
  • Chloraseptic Sore Throat Cherry
  • 339NCG44TV
  • Phenol, 90% aqueous solution
  • CHLORASEPTIC SORE THROAT
  • Phenol, natural, 97%, FG
  • Phenol for disinfection (TN)
  • CEPASTAT EXTRA STRENGTH

  • BIDD:ER0293
  • Phenol, for molecular biology
  • PHENYL, 4-HYDROXY-
  • PHENYL, 2-HYDROXY-
  • Phenol, LR, >=99%
  • PHENOL, 80% in ethanol
  • CARE ONE SORE THROAT
  • EQUALINE SORE THROAT
  • Sore Throat Relief Menthol
  • Fenol(DUTCH, POLISH)

  • bmse010026
  • bmse000290
  • Liquefied phenol (JP17)
  • Sore Throat Relief Cherry
  • PHENOL- D6
  • Phenol, >=99%
  • Sore Throat Spray Cherry
  • Phenol, detached crystals
  • Phenol (JP17/USP)
  • Castellani Paint 1.5%

  • Smart Sense Sore Throat
  • PHENOL, ACS
  • Liquefied phenol (TN)
  • Good Sense Sore Throat
  • 4i7l
  • 1li2
  • 1ai7
  • Sore Throat Readyincase
  • PHENOL REAGE NT
  • Dg Health Sore Throat

  • PHENOL REAGENT
  • Phenol, polymer-bound
  • Carbolic acid, liquid
  • Phenol, ACS reagent
  • Rx Act Sore Throat
  • Phenol 6%
  • Phenol (TN)
  • Phenol polymer-bound
  • Carbolic acid liquid
  • Topcare Sore Throat

  • Sunmark Sore Throat
  • Sore Throat Menthol
  • Paoscle (TN)
  • Liquefied phenol BP
  • Sore Throat Cherry
  • Pain A Lay
  • Leader Sore Throat
  • Equate Sore Throat
  • Sore Throat Spray
  • Phenol, ultrapure

  • Phenol, synthetic
  • Phenol (liquid)
  • Phenol, labeled with carbon-14
  • Phenol,industrial
  • Cepastat lozenges
  • Carbolicum acidum
  • Sore Throat
  • Oral Relief
  • Liver Supplement
  • Liquified Phenol

  • Castellani Paint
  • Pandy's reagent
  • Throat Relief
  • Phenolated water
  • Phenol synthetic
  • Phenol solutions
  • monophenyl ether
  • Cepastat Cherry
  • Aseptil rojo
  • Phenol molten

  • Phenol liquid
  • Phenol solution
  • Hydroxy-benzene
  • acide phenique
  • Phylorinol
  • Phenolcrude
  • Karbolsaeure
  • Carbolsaeure
  • Benzophenol
  • C6H6O

  • phenylalcohol
  • hydroxybenzend
  • benzenod
  • Phenol [USP:JAN]
  • (14C)Phenol
  • CAS-108-95-2
  • 84650-60-2
  • Phenol, sulfurated
  • IPH
  • 27073-41-2

  • Phenol, >=99.0%
  • PHENOL, ULTRA PURE
  • Phenol solutions [UN2821] [Poison]
  • Phenol, molten [UN2312] [Poison]
  • Phenol, solid [UN1671] [Poison]
  • Hydroxybenzene solution
  • MFCD00002143
  • Phenol (or solutions with 5% or more phenol)
  • EPA Pesticide Chemical Code 064001
  • FEMA No. 3223

  • Baker's p and s
  • RCRA waste no. U188
  • Phenol, solid
  • Phenol, liquid
  • Synthetic phenol
  • Liquefied phenol
  • Phenic alcohol
  • Campho-Phenique Cold Sore Gel
  • Caswell No. 649
  • Phenol [JAN]

  • UN 1671 (solid)
  • Acide carbolique [French]
  • UN 2312 (molten)
  • Un 2812 (solution)
  • Monohydroxy benzene
  • Baker's P and S Liquid and Ointment
  • Fenol [Dutch, Polish]
  • Baker's P & S liquid & Ointment
  • Phenol, molten
  • Campho-Phenique Liquid

  • Carbolsaure [German]
  • Phenic
  • Campho-Phenique Gel
  • Rcra waste number U188
  • Benzene, hydroxy-
  • Phenole [German]
  • Fenolo [Italian]
  • Phenol homopolymer
  • Phenol, pure
  • TEA polyphenol

  • Carbolic oil
  • Liquid phenol
  • Fenol
  • Phenosmolin
  • Fenosmoline
  • Fenosmolin
  • Carbolsaure
  • Fenolo
  • Acide carbolique
  • Phenole

  • Phenol, liquefied
  • PhOH
  • Phenol alcohol
  • Izal
  • Paoscle
  • Monohydroxybenzene
  • Phenyl alcohol
  • Phenylic alcohol
  • Phenyl hydroxide
  • Monophenol

  • Phenyl hydrate
  • Benzenol
  • Oxybenzene
  • Phenylic acid
  • Phenic acid
  • 108-95-2
  • Hydroxybenzene
  • carbolic acid

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Phenol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of phenol?
C6H6O
How many atoms and what are the elements included the phenol molecule?
13 atom(s) - 6 Hydrogen atom(s), 6 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the phenol structure?
13 bond(s) - 7 non-H bond(s), 6 multiple bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 aromatic hydroxyl(s)
What’s the phenol’s molecular weight?
94.11124 g/mol
What’s the SMILES code of phenol?
Oc1ccccc1
What’s the InChI string of phenol?
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
What’s the InChIKey code of phenol?
ISWSIDIOOBJBQZ-UHFFFAOYSA-N

9796 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).