3,5-Bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
Basic information
- CAS
7770-67-4- Standard SMILES
COc1ccc(CC2CC(Cc3ccc(OC)c(OC)c3)C(=O)O2)cc1OC- InChIKey
TXUHOJCTBHLKBA-UHFFFAOYSA-N- Molecular formula
- C22H26O6
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.17293854
Names & identifiers
- Preferred name
- 3,5-Bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
- IUPAC
- 3,5-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
Names & synonyms
7770-67-43,5-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-oneNSC402902DTXSID60323045NSC-402902
Database identifiers
- CAS
7770-67-4- PubChem CID
- 345326
- DTXSID
DTXSID60323045
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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