3-(2-(2-Propen-1-yl)phenoxy)-1,2-propanediol
Basic information
- CAS
63905-22-6- Standard SMILES
C=CCc1ccccc1OCC(O)CO- InChIKey
NRIXNDFJJSOBCR-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 3-(2-(2-Propen-1-yl)phenoxy)-1,2-propanediol
- IUPAC
- 3-(2-prop-2-enylphenoxy)propane-1,2-diol
- English name
- 3-(2-allylphenoxy)propane-1,2-diol
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
63905-22-60LM16ZD6JF1,2-Propanediol, 3-(2-(2-propen-1-yl)phenoxy)-3-(2-(2-PROPEN-1-YL)PHENOXY)-1,2-PROPANEDIOLRefChem:1066460264-554-73-(2-Allylphenoxy)propane-1,2-diolEINECS 264-554-73-(o-Allylphenoxy)-1,2-propanediol1,2-Propanediol, 3-(o-allylphenoxy)-Alprenolol EP Impurity AUNII-0LM16ZD6JF
Show more names
1,2-Propanediol, 3-[2-(2-propen-1-yl)phenoxy]-(2RS)-3-[2-(prop-2-enyl)phenoxy]propan-1,2-diol*Amylmetacresol Impurity 4 (Amylmetacresol EP Impurity D )a . (2RS)-3-[2-(prop-2-e nyl)ph e noxy]propa n-1,2-d i ol,
SCHEMBL7754100SCHEMBL17024162SCHEMBL313779873-[2-(PROP-2-EN-1-YL)PHENOXY]PROPANE-1,2-DIOLDTXSID10980864NRIXNDFJJSOBCR-UHFFFAOYSA-NAlprenolol Hydrochloride EP Impurity ADB-314432
Database identifiers
- CAS
63905-22-6- PubChem CID
- 198461
- DTXSID
DTXSID10980864- UNII
- 0LM16ZD6JF
- EC Number
- 264-554-7
- Nikkaji
- J90.862B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- FDA UNII
- 0 LM16ZD6JF · 0LM16ZD6JF
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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