4-[3-Methoxy-4-(octyloxy)phenyl]but-3-EN-2-one
Basic information
- CAS
37079-92-8- Standard SMILES
CCCCCCCCOc1ccc(C=CC(C)=O)cc1OC- InChIKey
IJLXKAGBSWVETN-UHFFFAOYSA-N- Molecular formula
- C19H28O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.20384475
Names & identifiers
- Preferred name
- 4-[3-Methoxy-4-(octyloxy)phenyl]but-3-EN-2-one
- IUPAC
- 4-(3-methoxy-4-octoxyphenyl)but-3-en-2-one
Names & synonyms
37079-92-84-[3-METHOXY-4-(OCTYLOXY)PHENYL]BUT-3-EN-2-ONEDTXSID90733451
Database identifiers
- CAS
37079-92-8- PubChem CID
- 60003285
- DTXSID
DTXSID90733451
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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