Basic information
- CAS
95581-17-2- Standard SMILES
COc1ccc(C(=O)C(C)(C)C(=O)c2ccc(OC)cc2)cc1- InChIKey
NEJWJDWXMDYQQL-UHFFFAOYSA-N- Molecular formula
- C19H20O4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.13615911
Names & identifiers
- Preferred name
- 1,3-Propanedione, 1,3-bis(4-methoxyphenyl)-2,2-dimethyl-
- IUPAC
- 1,3-bis(4-methoxyphenyl)-2,2-dimethylpropane-1,3-dione
Names & synonyms
1,3-Propanedione, 1,3-bis(4-methoxyphenyl)-2,2-dimethyl-95581-17-21,3-bis(4-methoxyphenyl)-2,2-dimethylpropane-1,3-dioneDTXSID00434664
Database identifiers
- CAS
95581-17-2- PubChem CID
- 10041206
- DTXSID
DTXSID00434664- Nikkaji
- J1.198.015E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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