chempirical

1-Phenyl-2-propanol acetate

C11H14O2CAS 2114-33-2178.23 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C11H14O2
Molar mass
178.23 g/mol
Exact mass
178.0994 Da
Density
1.0081 g/mL (at 20 °C)
Boiling point
107–108 °C (at 13 Torr)
logP
2.18Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
2114-33-2
SMILES
CC(=O)OC(C)Cc1ccccc1
InChIKey
LOHDWLZDQXQLJA-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Benzeneethanol, α-methyl-, 1-acetate
  • Phenethyl alcohol, α-methyl-, acetate
  • Benzeneethanol, α-methyl-, acetate
  • 2-Acetoxy-1-phenylpropane
  • (2-Acetoxypropyl)benzene
  • NSC 30160
  • 1-Benzylethyl acetate
  • 1-Phenyl-2-propyl acetate
  • 1-Phenylpropan-2-yl acetate

Work with 1-Phenyl-2-propanol acetate

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

Phenethyl acetate103-45-754 % similar 1-Phenylethyl acetate93-92-553 % similar Benzyl acetate140-11-451 % similar Phenylmethanediol diacetate581-55-551 % similar sec-Butyl acetate105-46-450 % similar 4-Methyl-2-pentyl acetate108-84-949 % similar Propylene glycol diacetate623-84-749 % similar Propylene glycol methyl ether acetate108-65-647 % 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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