Basic information
- CAS
75393-88-3- Standard SMILES
CCCCCOc1cc2c(cc1C(C)c1ccc(OC)cc1)OCO2- InChIKey
HJBZLUCEBQDOLY-UHFFFAOYSA-N- Molecular formula
- C21H26O4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.18310931
Names & identifiers
- Preferred name
- 5-[1-(4-Methoxyphenyl)ethyl]-6-(pentyloxy)-2H-1,3-benzodioxole
- IUPAC
- 5-[1-(4-methoxyphenyl)ethyl]-6-pentoxy-1,3-benzodioxole
Names & synonyms
75393-88-3NSC356489CHEMBL300401SCHEMBL11090434DTXSID903202245-[1-(4-Methoxyphenyl)ethyl]-6-(pentyloxy)-2H-1,3-benzodioxoleNSC-356489
Database identifiers
- CAS
75393-88-3- PubChem CID
- 337664
- DTXSID
DTXSID90320224- ChEMBL
CHEMBL300401
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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