Phenol
A phenol, C6H6O, 94.113 g/mol. Boiling point 360 °F at 760 mmHg, melting point 109 °F, as published. Appears in 96 documented reactions.
Identifiers
- Molecular formula
- C₆H₆O
- Molecular weight
- 94.113 g/mol
- Exact mass
- 94.041865 g/mol
- IUPAC name
- phenol
- Oc1ccccc1
- InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
- ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 360 °F at 760 mmHg (NTP, 1992)
- 359 °F at 760 mmHg (NIOSH, 2024)
- Melting Point
- 109 °F (NTP, 1992)
- 109 °F (NIOSH, 2024)
- Density
- 1.04 at 105.8 °F (USCG, 1999) - Denser than water; will sink
- 1.06 (NIOSH, 2024) - Denser than water; will sink
- Solubility
- 50 to 100 mg/mL at 66 °F (NTP, 1992)
- 9 % at 77 °F (NIOSH, 2024)
- Vapor Pressure
- 0.2 mmHg at 68 °F ; 0.35 mmHg at 77 °F (NTP, 1992)
- 0.4 mmHg (NIOSH, 2024)
- LogP
- 1.46
- Log Kow = 1.46
- Flash Point
- 175 °F (NTP, 1992)
- 175 °F (NIOSH, 2024)
Calculated properties
- Molecular weight
- 94.11 g/mol
- Exact mass
- 94.041864811 Da
- XLogP3
- 1.5
- Polar surface area
- 20.2 Ų
- Complexity
- 46
- H-bond donors
- 1
- H-bond acceptors
- 1
- logP
- 1.3922
- Topological polar surface area
- 20.23 Ų
- H-bond donors
- 1
- H-bond acceptors
- 1
- Rotatable bonds
- 0
- Molar refractivity
- 28.1068 cm³/mol
- Fraction sp³ carbons
- 0
- QED drug-likeness
- 0.5147
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 7
- Total atoms, hydrogen included
- 13
- Rings
- 1
- Aromatic rings
- 1
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Phenol
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
96 documented reactions involve Phenol, each with a written procedure and a source, and all of them are buchwald–hartwig etherification. A few are shown.
Buchwald–Hartwig etherification
Buchwald–Hartwig etherification · as a reactant
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig etherification
Buchwald–Hartwig etherification · as a reactant
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig etherification
Buchwald–Hartwig etherification · as a reactant
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 phenol.
The sources also call it carbolic acid, Hydroxybenzene, Phenic acid, Oxybenzene, Benzenol, Phenylic acid, Phenylic alcohol, Monophenol, Phenyl hydrate, Phenyl hydroxide, PhOH.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Phenol. 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.
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 P
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C6H6O in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Phenol 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.