Anisole
An aromatic ether, C7H8O, 108.14 g/mol. Boiling point 155.5 °C AT 760 MM HG, melting point -37.3 °C, as published. Appears in 7 documented reactions.
Identifiers
- Molecular formula
- C₇H₈O
- Molecular weight
- 108.14 g/mol
- Exact mass
- 108.057515 g/mol
- IUPAC name
- anisole
- COc1ccccc1
- InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
- RDOXTESZEPMUJZ-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 155.5 °C AT 760 MM HG
- 153.00 to 155.00 °C. @ 760.00 mm Hg
- Melting Point
- -37.3 °C
- -37.5 °C
- Density
- 0.9956 AT 18 °C/4 °C
- PER CENT IN SATURATED AIR: 0.41; DENSITY OF SATURATED AIR: 1.1 (AIR= 1)
- Solubility
- SOLUBLE IN ALCOHOL AND ETHER
- VERY SOLUBLE IN ACETONE
- Vapor Pressure
- 3.54 [mmHg]
- 0.472 kPa (3.54 mm Hg) @ 25 °C
- LogP
- Log Kow = 2.11
- 2.11
- Flash Point
- 125 °F (NFPA, 2010)
- 52 °C
Calculated properties
- Molecular weight
- 108.14 g/mol
- Exact mass
- 108.057514874 Da
- XLogP3
- 2.1
- Polar surface area
- 9.2 Ų
- Complexity
- 55
- H-bond donors
- 0
- H-bond acceptors
- 1
- logP
- 1.6952
- Topological polar surface area
- 9.23 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Rotatable bonds
- 1
- Molar refractivity
- 32.994 cm³/mol
- Fraction sp³ carbons
- 0.1429
- QED drug-likeness
- 0.5316
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 8
- Total atoms, hydrogen included
- 16
- Rings
- 1
- Aromatic rings
- 1
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Ether
Aromatic ring
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
7 documented reactions involve Anisole, each with a written procedure and a source, and all of them are buchwald–hartwig amination. A few are shown.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a solvent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a solvent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a solvent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Other names for it
The systematic name on this record is anisole.
The sources also call it Methoxybenzene, Methyl phenyl ether, Benzene, methoxy-, Phenoxymethane, Anisol, Phenyl methyl ether, Anizol, Phenol methyl ether, Ether, methyl phenyl, Benzene, methoxy, FEMA No. 2097.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Anisole. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
C₃₉H₃₂OP₂, 578.632 g/mol.
1,4-Dioxane
used as a reactant
C₄H₈O₂, 88.106 g/mol.
(4-Methoxyphenyl)methyl 4-[2-hydroxy-4-[(4-nitrophenyl)methoxycarbonylamino]butanoyl]piperazine-1-carboxylate
used as a reactant
C₂₅H₃₀N₄O₉, 530.534 g/mol.
(4-Bromo-2-fluoro-phenyl)-(2-pyrrolidin-1-ylmethyl-pyrrolidin-yl)methanone
used as a reactant
C₁₆H₂₀BrFN₂O, 355.251 g/mol.
(4-Nitrophenyl)methyl 2-(4-imidazol-1-ylpiperidine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate
formed as a product
C₂₁H₂₅N₅O₅S, 459.528 g/mol.
(2-{2-(3,5-dimethylphenyl)-5-[1-methyl-1-(4-methyl-1H-imidazol-2-yl)ethyl]-1H-indol-3-yl}ethyl)carbamic acid tert-butyl ester
used as a reactant
C₃₀H₃₈N₄O₂, 486.66 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under A
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C7H8O in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Anisole for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.