chempirical

Propenylguaethol

C11H14O2CAS 94-86-0178.23 g/mol

Open in Covalent MOL file
OOH
AlkeneEtherPhenol

Properties

Molecular formula
C11H14O2
Molar mass
178.23 g/mol
Exact mass
178.0994 Da
Melting point
86 °C
logP
2.82Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
94-86-0
SMILES
CC=Cc1ccc(OCC)c(O)c1
InChIKey
RADIRXJQODWKGQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3

Weigh it out

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

Names and synonyms

15 names · show all
  • Phenol, 2-ethoxy-5-(1-propen-1-yl)-
  • Phenol, 2-ethoxy-5-propenyl-
  • Phenol, 2-ethoxy-5-(1-propenyl)-
  • m-Anol, 6-ethoxy-
  • 2-Ethoxy-5-(1-propen-1-yl)phenol
  • 6-Ethoxy-m-anol
  • 1-Ethoxy-2-hydroxy-4-propenylbenzene
  • 2-Ethoxy-5-propenylphenol
  • Hydroxy methyl anethol
  • Isosafroeugenol
  • Vanitrope
  • NSC 5194
  • 5-Propenylguaethol
  • Propenylguaetol
  • 2-Ethoxy-5-prop-1-enylphenol

Work with Propenylguaethol

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

Isosafrole120-58-151 % similar Isoeugenol97-54-151 % similar Ethylvanillin121-32-451 % similar 2-Ethoxyphenol94-71-350 % similar 1-Hydroxy-4-ethoxy-2,3-difluorobenzene126163-56-245 % similar 3,4-Diethoxybenzaldehyde2029-94-945 % similar 2-Ethoxy-4-methylphenol2563-07-745 % similar Methylisoeugenol93-16-345 % similar

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

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 4-(4-Methoxyphenyl)-2-butanone104-20-1 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7

Elsewhere

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