chempirical

1,4-Diisopropoxybenzene

C12H18O2CAS 7495-78-5194.27 g/mol

Open in Covalent MOL file
OO
Ether

Properties

Molecular formula
C12H18O2
Molar mass
194.27 g/mol
Exact mass
194.1307 Da
Density
1.065 g/mL (at 34 °C)
Boiling point
235 °C (at 40 Torr)
logP
3.26Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
7495-78-5
SMILES
CC(C)Oc1ccc(OC(C)C)cc1
InChIKey
HXINKONAVYDDKZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-10H,1-4H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1,4-bis(1-methylethoxy)-
  • Benzene, p-diisopropoxy-
  • 1,4-Bis(1-methylethoxy)benzene
  • p-Diisopropoxybenzene
  • NSC 407768

Work with 1,4-Diisopropoxybenzene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(1-Methylethoxy)benzenamine7664-66-671 % similar 4-Isopropoxybenzaldehyde18962-05-563 % similar 4-(1-Methylethoxy)benzoic acid13205-46-456 % similar 4-[[4-(1-Methylethoxy)phenyl]sulfonyl]phenol95235-30-650 % similar 1-Bromo-3-isopropoxybenzene131738-73-348 % similar 1-Bromo-2-(1-methylethoxy)benzene701-07-542 % similar 2-Isopropoxyphenol4812-20-841 % similar 1-(Difluoromethoxy)-4-methylbenzene1583-83-138 % similar

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

Same formula

Hexylresorcinol136-77-6 1,1-Dimethylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate154970-45-3 4-(Hexyloxy)phenol18979-55-0 [2-(1-Ethoxyethoxy)ethyl]benzene2556-10-7 α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol2948-46-1 1-Adamantaneacetic acid4942-47-6 Sedanolide6415-59-4 4-Ethoxy-β,β-dimethylbenzeneethanol83493-63-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook