Basic information
- CAS
52328-99-1- Standard SMILES
COCOc1ccc(C=CC(C)=O)cc1OC- InChIKey
BTLPUHQSIJWSRG-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 4-[3-Methoxy-4-(methoxymethoxy)phenyl]but-3-en-2-one
- IUPAC
- 4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-2-one
Names & synonyms
4-[3-Methoxy-4-(methoxymethoxy)phenyl]but-3-en-2-one52328-99-1SCHEMBL5598627DTXSID80740674BTLPUHQSIJWSRG-UHFFFAOYSA-N1-(4-Methoxymethyloxy-3-methoxyphenyl)-1-buten-3-one
Database identifiers
- CAS
52328-99-1- PubChem CID
- 69501682
- DTXSID
DTXSID80740674
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Related reactions
6 records
Compound notes
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