chempirical

3-(Benzyloxy)-1,2-propanediol

C10H14O3CAS 4799-67-1182.22 g/mol

Open in Covalent MOL file
HOHOO
AlcoholEther

Properties

Molecular formula
C10H14O3
Molar mass
182.22 g/mol
Exact mass
182.0943 Da
Density
1.13 g/mL (at 25 °C)
Melting point
62.7–63.4 °C
Boiling point
164–166 °C (at 2 Torr)
logP
0.56Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Identifiers

CAS number
4799-67-1
SMILES
OCC(O)COCc1ccccc1
InChIKey
LWCIBYRXSHRIAP-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O3/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

Weigh it out

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

Names and synonyms

12 names
  • 1,2-Propanediol, 3-(phenylmethoxy)-
  • 1,2-Propanediol, 3-(benzyloxy)-
  • 3-(Phenylmethoxy)-1,2-propanediol
  • 1-O-Benzylglycerol
  • Glycerol α-monobenzyl ether
  • (RS)-3-(Benzyloxy)-1,2-propanediol
  • (±)-1-O-Benzylglycerol
  • DL-α-O-Benzylglycerol
  • Glycerol 1-benzyl ether
  • Glycerin 1-monobenzyl ether
  • NSC 74241
  • (±)-3-(Benzyloxy)-1,2-propanediol

Work with 3-(Benzyloxy)-1,2-propanediol

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

1,3-Bis(phenylmethoxy)-2-propanol6972-79-879 % similar Bis(2,3-dihydroxypropyl) ether627-82-754 % similar Benzyl (-)-glycidyl ether14618-80-552 % similar (+)-Benzyl glycidyl ether16495-13-952 % similar Benzyl glycidyl ether2930-05-452 % similar Dibenzyl ether103-50-450 % similar Benzyloxyethanol622-08-248 % similar (1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene110567-21-048 % similar

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

Same formula

1,1-Cyclohexane diacetic anhydride1010-26-0 3-(Benzyloxy)-1,2-propanediol13071-59-5 Vanillyl ethyl ether13184-86-6 2-(Phenylmethoxy)-1,3-propanediol14690-00-7 (-)-3-Benzyloxy-1,2-propanediol17325-85-8 Anisaldehyde dimethyl acetal2186-92-7 Dihydroconiferyl alcohol2305-13-7 Furfuryl pentanoate36701-01-6

Elsewhere

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