5-Butoxy-6-(1-phenylethyl)-1,3-benzodioxole
Basic information
- CAS
71712-23-7- Standard SMILES
CCCCOc1cc2c(cc1C(C)c1ccccc1)OCO2- InChIKey
NBPWQUKGTAFSBK-UHFFFAOYSA-N- Molecular formula
- C19H22O3
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.15689456
Names & identifiers
- Preferred name
- 5-Butoxy-6-(1-phenylethyl)-1,3-benzodioxole
- IUPAC
- 5-butoxy-6-(1-phenylethyl)-1,3-benzodioxole
Names & synonyms
71712-23-75-butoxy-6-(1-phenylethyl)-1,3-benzodioxoleNSC350104SCHEMBL11086745DTXSID00319760NSC-3501045-BUTOXY-6-(1-PHENYLETHYL)-2H-1,3-BENZODIOXOLE
Database identifiers
- CAS
71712-23-7- PubChem CID
- 336339
- DTXSID
DTXSID00319760
Properties
Computed structural properties
- XLogP
- 5.2
- 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
- 327
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Compound notes
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