1,2-Dimethoxydibenzo[c,e]oxepin-5(7H)-one
Basic information
- CAS
61441-05-2- Standard SMILES
COc1ccc2c(c1OC)-c1ccccc1COC2=O- InChIKey
JLOPVVKYULKMFL-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- 1,2-Dimethoxydibenzo[c,e]oxepin-5(7H)-one
- IUPAC
- 1,2-dimethoxy-7H-benzo[d][2]benzoxepin-5-one
Names & synonyms
61441-05-2NSC3117341,2-Dimethoxydibenzo[c,e]oxepin-5(7H)-oneDTXSID80317148NSC-311734
Database identifiers
- CAS
61441-05-2- PubChem CID
- 329385
- DTXSID
DTXSID80317148
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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