chempirical

Phenol

C6H6OCAS 108-95-294.11 g/mol

Open in Covalent MOL file
HO
Phenol

Properties

Molecular formula
C6H6O
Molar mass
94.11 g/mol
Exact mass
94.0419 Da
Density
1.07 g/mL
Melting point
40.91 °C
Boiling point
181.75 °C
logP
1.39Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
108-95-2
SMILES
Oc1ccccc1
InChIKey
ISWSIDIOOBJBQZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

15 names · show all
  • Phenyl alcohol
  • Monophenol
  • ENT 1814
  • NSC 36808
  • 2-Allphenol
  • Carbolic acid
  • Hydroxybenzene
  • Monohydroxybenzene
  • Oxybenzene
  • Phenic acid
  • Phenyl hydrate
  • Phenyl hydroxide
  • Phenylic acid
  • Phenylic alcohol
  • Benzenol

Work with Phenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenol formaldehyde resin9003-35-467 % similar 4-Phenylphenol92-69-365 % similar Hydroquinone123-31-962 % similar Resorcinol108-46-356 % similar 4-Benzylphenol101-53-155 % similar 4-Hydroxydiphenylamine122-37-255 % similar Solvent yellow 71689-82-355 % similar Bis(4-hydroxyphenyl)diphenylmethane1844-01-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phen-2,3,4,5,6-D5-ol-D13127-88-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia