Molecular Weight of Phenol (C6H6O)
Identification of Phenol Chemical Compound
Chemical Formula | C6H6O |
---|---|
Molecular Weight | 94.11124 g/mol |
IUPAC Name | phenol |
SMILES String | Oc1ccccc1 |
InChI | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
InChIKey | ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
Molecular Weight Description
The phenol molecule consists of 6 Hydrogen atom(s), 6 Carbon atom(s), and 1 Oxygen atom(s) - a total of 13 atom(s). The molecular weight of phenol is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 94.11124 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Phenol Molecule
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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 on atoms, bonds, connectivity and coordinates of phenol. The phenol structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of phenol
The molecular structure image of phenol is available in chemical structure page of phenol, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in phenol and the chemical bonds that hold the atoms together.
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Chemical formula of phenol
The molecular formula of phenol is given 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.
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InChI (IUPAC International Chemical Identifier) information of phenol
In addition to the molecular weight information, the structural information of phenol in a textual expression is available via InChi. The full standard InChI of phenol is given below:
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
It can provide a way to encode the molecular information of phenol 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 phenol is:
InChIKey=ISWSIDIOOBJBQZ-UHFFFAOYSA-N
It may allow easier web searches for phenol. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the phenol as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of phenol
There may be different names of the phenol compound depending on the various situations of industrial applications, which are given below including the 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
Phenol Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of phenol? |
---|
C6H6O |
How many atoms and what are the elements in 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 types of bonds are in 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 molar mass of phenol? |
94.11124 g/mol |
What’s the SMILES format of phenol? |
Oc1ccccc1 |
What’s the InChI format of phenol? |
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
What’s the InChIKey string of phenol? |
ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
8208
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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).