1,5-Bis(4-methoxyphenyl)pentane-1,5-dione
Basic information
- CAS
4609-11-4- Standard SMILES
COc1ccc(C(=O)CCCC(=O)c2ccc(OC)cc2)cc1- InChIKey
GWVAANACTFBPTO-UHFFFAOYSA-N- Molecular formula
- C19H20O4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.13615911
Names & identifiers
- Preferred name
- 1,5-Bis(4-methoxyphenyl)pentane-1,5-dione
- IUPAC
- 1,5-bis(4-methoxyphenyl)pentane-1,5-dione
Names & synonyms
1,5-Bis(4-methoxyphenyl)pentane-1,5-dione4609-11-4DTXSID50342866RefChem:221196DTXCID10293946GWVAANACTFBPTO-UHFFFAOYSA-NSCHEMBL40828641,5-Bis(4-methoxyphenyl)-1,5-pentanedione #
Database identifiers
- CAS
4609-11-4- PubChem CID
- 585261
- DTXSID
DTXSID50342866- Nikkaji
- J1.646.806A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 341
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Compound notes
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