chempirical

Propofol

C12H18OCAS 2078-54-8178.27 g/mol

Open in Covalent MOL file
HO
Phenol

Properties

Molecular formula
C12H18O
Molar mass
178.27 g/mol
Exact mass
178.1358 Da
Density
1.54 g/mL (at 20 °C)
Melting point
18 °C
Boiling point
242 °C
pKa
11.1 (20 °C)
Water solubility
insoluble
logP
3.64Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,494 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2078-54-8
SMILES
CC(C)c1cccc(C(C)C)c1O
InChIKey
OLBCVFGFOZPWHH-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3

Weigh it out

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

Names and synonyms

31 names · show all
  • Anepol
  • Vetofol
  • PropVet
  • Plofed
  • Phenol, 2,6-bis(1-methylethyl)-
  • Phenol, 2,6-diisopropyl-
  • 2,6-Bis(1-methylethyl)phenol
  • 2,6-Diisopropylphenol
  • ICI 35868
  • Diprivan
  • 2,6-Bis(isopropyl)phenol
  • PD 18215
  • Diprivan 10
  • Disoprivan
  • Recofol
  • Diprofol
  • Diprifusor
  • Propofol-lipuro
  • Rapinovet
  • NSC 5105
  • Ampofol
  • Ivofol
  • Disoprofol
  • Pofol
  • Pronest
  • Propovan
  • Fresofol
  • Aquafol
  • Propoclear
  • 2,6-Di(propan-2-yl)phenol
  • Propolipid

Work with Propofol

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

Dipropofo2416-95-758 % similar Bis(1-methylethyl)benzene25321-09-957 % similar 2-Isopropylphenol88-69-756 % similar Diisopropylaniline24544-04-552 % similar Bis(2,6-diisopropylphenyl)carbodiimide2162-74-552 % similar 2-Isothiocyanato-1,3-bis(1-methylethyl)benzene25343-70-847 % similar 2-Isocyanato-1,3-bis(1-methylethyl)benzene28178-42-947 % similar O-Cymene527-84-446 % similar

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

Same formula

α-Ethyl-α-methylbenzenepropanol10415-87-9 Benzyl isopentyl ether122-73-6 Amylmetacresol1300-94-3 Cyclohexenylcyclohexanone1502-22-3 1-Acetyladamantane1660-04-4 2,4-Dimethyl-6-tert-butylphenol1879-09-0 6-Phenyl-1-hexanol2430-16-2 2,3,4,5,6,6-Hexamethylcyclohexa-2,4-dien-1-one3854-96-4

Elsewhere

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