chempirical

2-Isopropoxyphenol

C9H12O2CAS 4812-20-8152.19 g/mol

Open in Covalent MOL file
OHO
EtherPhenol

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
Boiling point
100–102 °C
logP
2.18Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
4812-20-8
SMILES
CC(C)Oc1ccccc1O
InChIKey
ZNCUUYCDKVNVJH-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • Phenol, 2-(1-methylethoxy)-
  • Phenol, o-isopropoxy-
  • 2-(1-Methylethoxy)phenol
  • o-Isopropoxyphenol
  • Catechol monoisopropyl ether
  • 2-Isopropyloxyphenol
  • 1-Hydroxy-2-isopropoxybenzene
  • Ortho-Isopropoxyphenol
  • 2-IPP
  • 2-(Propan-2-yloxy)phenol
  • 2-(2-Propoxy)phenol

Work with 2-Isopropoxyphenol

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

1-Bromo-2-(1-methylethoxy)benzene701-07-555 % similar Guaiacol90-05-154 % similar 2-Ethoxyphenol94-71-348 % similar Propoxur114-26-146 % similar Isopropyl salicylate607-85-244 % similar 2-Isopropylphenol88-69-743 % similar 2-(Phenylmethoxy)phenol6272-38-442 % similar Catechol120-80-942 % similar

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

Same formula

3-(4-Hydroxyphenyl)-1-propanol10210-17-0 Ketoisophorone1125-21-9 Benzaldehyde dimethyl acetal1125-88-8 2-(3-Methylphenoxy)ethanol13605-19-1 2-Phenyl-1,3-propanediol1570-95-2 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 4-Propoxyphenol18979-50-5 4-Propylresorcinol18979-60-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook