5-(2-Phenylpropan-2-yl)-6-propoxy-2H-1,3-benzodioxole
Basic information
- CAS
71712-48-6- Standard SMILES
CCCOc1cc2c(cc1C(C)(C)c1ccccc1)OCO2- InChIKey
YLYYPVRRJSMZKQ-UHFFFAOYSA-N- Molecular formula
- C19H22O3
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.15689456
Names & identifiers
- Preferred name
- 5-(2-Phenylpropan-2-yl)-6-propoxy-2H-1,3-benzodioxole
- IUPAC
- 5-(2-phenylpropan-2-yl)-6-propoxy-1,3-benzodioxole
Names & synonyms
71712-48-6NSC350100CHEMBL50434SCHEMBL110858075-(2-Phenylpropan-2-yl)-6-propoxy-2H-1,3-benzodioxoleDTXSID70319757NSC-350100
Database identifiers
- CAS
71712-48-6- PubChem CID
- 336336
- DTXSID
DTXSID70319757- ChEMBL
CHEMBL50434
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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