3-Phenoxy-1,2-propanediol
Properties
- Molecular formula
- C9H12O3
- Molar mass
- 168.19 g/mol
- Exact mass
- 168.0786 Da
- Density
- 1.225 g/mL (at 30 °C)
- Melting point
- 67.5 °C
- Boiling point
- 129–142 °C
- logP
- 0.42Crippen estimate
- Polar surface area
- 49.7 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 4
Hazards
Not classified as hazardous under GHS by 25 ECHA notifiers. Aggregated from 25 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
538-43-2SMILES
OCC(O)COc1ccccc1InChIKey
FNQIYTUXOKTMDM-UHFFFAOYSA-NInChI
InChI=1S/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- 1,2-Propanediol, 3-phenoxy-
- Antodyne
- Glycerol α-monophenyl ether
- Phenol glyceryl ether
- Glycerol α-phenyl ether
- Phenylglyceryl ether
- 1-Phenoxy-2,3-propanediol
- α-Phenyl monoglyceryl ether
- 2,3-Dihydroxypropyl phenyl ether
- 1,2-Dihydroxy-3-phenoxypropane
- 1-Phenoxymethyl-1,2-ethanediol
- NSC 406489
- 3-Phenoxy-1,2-propoanediol
Reactions
Work with 3-Phenoxy-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Chlorphenesin104-29-066 % similar
3-(Benzyloxy)-1,2-propanediol13071-59-558 % similar
3-(Benzyloxy)propane-1,2-diol17325-85-858 % similar
3-(Benzyloxy)-1,2-propanediol4799-67-158 % similar
(±)-Mephenesin59-47-257 % similar
Guaifenesin93-14-157 % similar
1-Butoxy-3-phenoxy-2-propanol3102-00-954 % similar
1-Phenoxy-2-propanol770-35-453 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds