Basic information
- CAS
56071-25-1- Standard SMILES
COc1ccc(C=C2CCOc3ccc(C)cc3C2=O)cc1- InChIKey
IKYXQDNXJYSFSA-UHFFFAOYSA-N- Molecular formula
- C19H18O3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.12559443
Names & identifiers
- Preferred name
- 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl-
- IUPAC
- 4-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benzoxepin-5-one
Names & synonyms
56071-25-11-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-7-methyl-RefChem:1054920BRN 12553144-(p-Methoxybenzylidine)-7-methyl-3,4-dihydro-1(2H)-benzoxepin-5-oneDTXSID5013850644-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benzoxepin-5-oneAKOS034396370NSC 269971
Database identifiers
- CAS
56071-25-1- PubChem CID
- 99932
- DTXSID
DTXSID501385064
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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