chempirical

2-(Phenylmethoxy)-1,3-propanediol

C10H14O3CAS 14690-00-7182.22 g/mol

Open in Covalent MOL file
HOHOO
AlcoholEther

Properties

Molecular formula
C10H14O3
Molar mass
182.22 g/mol
Exact mass
182.0943 Da
Melting point
38.5–40 °C
Boiling point
185–187 °C (at 10 Torr)
logP
0.56Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
14690-00-7
SMILES
OCC(CO)OCc1ccccc1
InChIKey
UDIPIOHLDFSMLR-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O3/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

Weigh it out

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Names and synonyms

4 names
  • 1,3-Propanediol, 2-(phenylmethoxy)-
  • 1,3-Propanediol, 2-(benzyloxy)-
  • 2-O-Benzylglycerol
  • 2-(Benzyloxy)-1,3-propanediol

Work with 2-(Phenylmethoxy)-1,3-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

3-(Benzyloxy)cyclobutan-1-one30830-27-453 % similar 3-(Benzyloxy)-1,2-propanediol4799-67-152 % similar 3-Benzyloxy-cyclobutanecarboxylic acid4958-02-550 % similar 4-(Phenylmethyl)-2-morpholinemethanol40987-24-449 % similar (-)-Benzyl (R)-glycidyl ether14618-80-548 % similar (+)-Benzyl glycidyl ether16495-13-948 % similar N,N-Dimethyl-1,1-bis(phenylmethoxy)methanamine2016-04-848 % similar Benzyl glycidyl ether2930-05-448 % 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 3-(Benzyloxy)propane-1,2-diol17325-85-8 2-Acetyldimedone1755-15-3 Anisaldehyde dimethyl acetal2186-92-7 Dihydroconiferyl alcohol2305-13-7 Furfuryl pentanoate36701-01-6

Elsewhere

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