chempirical

4-Ethoxy-β,β-dimethylbenzeneethanol

C12H18O2CAS 83493-63-4194.27 g/mol

Open in Covalent MOL file
OOH
AlcoholEther

Properties

Molecular formula
C12H18O2
Molar mass
194.27 g/mol
Exact mass
194.1307 Da
logP
2.36Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
83493-63-4
SMILES
CCOc1ccc(C(C)(C)CO)cc1
InChIKey
OZEZBKUHAGFQME-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O2/c1-4-14-11-7-5-10(6-8-11)12(2,3)9-13/h5-8,13H,4,9H2,1-3H3

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

Names and synonyms

5 names
  • Benzeneethanol, 4-ethoxy-β,β-dimethyl-
  • 4-Ethoxyneophyl alcohol
  • 2-Methyl-2-(4-ethoxyphenyl)propyl alcohol
  • p-Ethoxyneophyl alcohol
  • 2-(4-Ethoxyphenyl)-2-methyl-1-propanol

Work with 4-Ethoxy-β,β-dimethylbenzeneethanol

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

1,4-Diethoxybenzene122-95-254 % similar Triton X-1009002-93-151 % similar 4-Ethoxybenzyl alcohol6214-44-450 % similar 4-Ethoxyphenol622-62-848 % similar Etofenprox80844-07-145 % similar P-Phenetidine156-43-444 % similar 1-Ethoxy-4-fluorobenzene459-26-744 % similar 4-Bromophenetole588-96-544 % 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 1,4-Diisopropoxybenzene7495-78-5

Elsewhere

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