chempirical

2-Isopropylphenol

C9H12OCAS 88-69-7136.19 g/mol

Open in Covalent MOL file
HO
Phenol

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
Density
0.9929 g/mL (at 25 °C)
Melting point
15.5 °C
Boiling point
213.5 °C
logP
2.52Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
88-69-7
SMILES
CC(C)c1ccccc1O
InChIKey
CRBJBYGJVIBWIY-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Phenol, 2-(1-methylethyl)-
  • Phenol, o-isopropyl-
  • 2-(1-Methylethyl)phenol
  • o-Isopropylphenol
  • o-Hydroxycumene
  • o-Cumenol
  • NSC 5103
  • 2-(Propan-2-yl)phenol

Work with 2-Isopropylphenol

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

Propofol2078-54-856 % similar O-sec-Butylphenol89-72-555 % similar 4-Isopropylresorcinol23504-03-254 % similar Thymol89-83-852 % similar O-Cymene527-84-450 % similar 1-Bromo-2-(1-methylethyl)benzene7073-94-150 % similar 2-Cyclohexylphenol119-42-648 % similar 1-Iodo-2-isopropylbenzene19099-54-848 % similar

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

Same formula

2,6-Dimethylanisole1004-66-6 2-Phenyl-1-propanol1123-85-9 Benzenepropanol122-97-4 2,3-Dimethylbenzenemethanol13651-14-4 1-Phenyl-2-propanol14898-87-4 1-Ethyl-4-methoxybenzene1515-95-3 (S)-1-Phenyl-2-propanol1517-68-6 (+)-1-Phenyl-1-propanol1565-74-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook