5-(1-Phenylprop-2-en-1-yl)-6-propoxy-2H-1,3-benzodioxole
Basic information
- CAS
71712-51-1- Standard SMILES
C=CC(c1ccccc1)c1cc2c(cc1OCCC)OCO2- InChIKey
RWZWHRRVWGHSGA-UHFFFAOYSA-N- Molecular formula
- C19H20O3
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.1412445
Names & identifiers
- Preferred name
- 5-(1-Phenylprop-2-en-1-yl)-6-propoxy-2H-1,3-benzodioxole
- IUPAC
- 5-(1-phenylprop-2-enyl)-6-propoxy-1,3-benzodioxole
Names & synonyms
71712-51-1NSC350134SCHEMBL11091589DTXSID403197695-(1-Phenylprop-2-en-1-yl)-6-propoxy-2H-1,3-benzodioxoleNSC-350134
Database identifiers
- CAS
71712-51-1- PubChem CID
- 336368
- DTXSID
DTXSID40319769
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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