Basic information
- CAS
71712-19-1- Standard SMILES
CCCCOc1cc2c(cc1C(C)c1ccc(OC)cc1)OCO2- InChIKey
JBMGQVNJDACHQF-UHFFFAOYSA-N- Molecular formula
- C20H24O4
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.16745924
Names & identifiers
- Preferred name
- 5-Butoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
- IUPAC
- 5-butoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
Names & synonyms
71712-19-15-butoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxoleNSC321573CHEMBL48162SCHEMBL11091615DTXSID00317882NSC-3215735-BUTOXY-6-[1-(4-METHOXYPHENYL)ETHYL]-2H-1,3-BENZODIOXOLE
Database identifiers
- CAS
71712-19-1- PubChem CID
- 331192
- DTXSID
DTXSID00317882- ChEMBL
CHEMBL48162
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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