Basic information
- CAS
67081-97-4- Standard SMILES
[2H]C([2H])([2H])Oc1ccc(CCCc2cccc(OC)c2)cc1- InChIKey
RMKFJKIMETUHQG-FIBGUPNXSA-N- Molecular formula
- C17H20O2
- Average molar mass
- 259.36 g/mol
- Monoisotopic mass
- 259.16516011
Names & identifiers
- Preferred name
- Benzene, 1-methoxy-3-(3-(4-methoxy-d3-phenyl)propyl)-
- IUPAC
- 1-methoxy-3-[3-[4-(trideuteriomethoxy)phenyl]propyl]benzene
Names & synonyms
Benzene, 1-methoxy-3-(3-(4-methoxy-d3-phenyl)propyl)-67081-97-4DTXSID10217389RefChem:323781DTXCID60139880Benzene,1-methoxy-3-[3-(4-methoxy-d3-phenyl)propyl]-1-Methoxy-3-(3-{4-[(~2~H_3_)methyloxy]phenyl}propyl)benzene
Database identifiers
- CAS
67081-97-4- PubChem CID
- 522249
- DTXSID
DTXSID10217389
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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