5-(1-Phenylethyl)-6-propoxy-1,3-benzodioxole
Basic information
- CAS
71712-22-6- Standard SMILES
CCCOc1cc2c(cc1C(C)c1ccccc1)OCO2- InChIKey
NVLSEHCUPQWUEQ-UHFFFAOYSA-N- Molecular formula
- C18H20O3
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.1412445
Names & identifiers
- Preferred name
- 5-(1-Phenylethyl)-6-propoxy-1,3-benzodioxole
- IUPAC
- 5-(1-phenylethyl)-6-propoxy-1,3-benzodioxole
Names & synonyms
71712-22-65-(1-phenylethyl)-6-propoxy-1,3-benzodioxoleNSC350103SCHEMBL11088971DTXSID90319759NSC-3501035-(1-PHENYLETHYL)-6-PROPOXY-2H-1,3-BENZODIOXOLE
Database identifiers
- CAS
71712-22-6- PubChem CID
- 336338
- DTXSID
DTXSID90319759
Properties
Computed structural properties
- XLogP
- 4.9
- 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
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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