Basic information
- CAS
71712-50-0- Standard SMILES
C=CC(c1ccccc1)c1cc2c(cc1OCC)OCO2- InChIKey
LTSYCHQHYKSLCE-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.12559443
Names & identifiers
- Preferred name
- 5-Ethoxy-6-(1-phenylprop-2-enyl)-1,3-benzodioxole
- IUPAC
- 5-ethoxy-6-(1-phenylprop-2-enyl)-1,3-benzodioxole
Names & synonyms
71712-50-05-ethoxy-6-(1-phenylprop-2-enyl)-1,3-benzodioxoleNSC350133SCHEMBL11084093DTXSID80319768NSC-3501335-ETHOXY-6-(1-PHENYLPROP-2-EN-1-YL)-2H-1,3-BENZODIOXOLE
Database identifiers
- CAS
71712-50-0- PubChem CID
- 336367
- DTXSID
DTXSID80319768
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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