Basic information
- CAS
39992-64-8- Standard SMILES
COc1ccc(C(=O)CC2C(=O)CCCC2=O)cc1- InChIKey
CDGMHSBSEMTFNG-UHFFFAOYSA-N- Molecular formula
- C15H16O4
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10485899
Names & identifiers
- Preferred name
- 1,3-Cyclohexanedione, 2-p-methoxyphenacyl-
- IUPAC
- 2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,3-dione
- English name
- 2-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,3-cyclohexanedione
- Molecular formula
- C15H16O4
- Molecular weight
- 260.29
Names & synonyms
39992-64-81,3-Cyclohexanedione, 2-p-methoxyphenacyl-BRN 50548662-p-Methoxyphenacylcyclohexane-1,3-dione1,3-Cyclohexanedione, 2-(2-(4-methoxyphenyl)-2-oxoethyl)-DTXSID00193047RefChem:218210DTXCID101155382-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,3-dione2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-cyclohexanedioneDB-2605572-[2-(4-Methoxyphenyl)-2-oxoethyl ]-1,3-cyclohexanedione
Show more names
1,3-Cyclohexanedione, 2-[2-(4-methoxyphenyl)-2-oxoethyl]-
Database identifiers
- CAS
39992-64-8- PubChem CID
- 217992
- DTXSID
DTXSID00193047- Nikkaji
- J72.703B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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