Basic information
- CAS
6342-98-9- Standard SMILES
COc1ccc(C(=O)c2ccc(C)cc2)c(OC)c1OC- InChIKey
RFXCSIZXDHJWKA-UHFFFAOYSA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050905
Names & identifiers
- Preferred name
- (4-Methylphenyl)-(2,3,4-trimethoxyphenyl)methanone
- IUPAC
- (4-methylphenyl)-(2,3,4-trimethoxyphenyl)methanone
Names & synonyms
6342-98-9Methanone,(4-methylphenyl)(2,3,4-trimethoxyphenyl)-MLS002667086(4-methylphenyl)-(2,3,4-trimethoxyphenyl)methanone(4-methylphenyl)(2,3,4-trimethoxyphenyl)methanoneHMS3088J20NSC46682CHEMBL1884741SCHEMBL26791643SCHEMBL30023898DTXSID40286624NSC-46682
Show more names
SMR001556858DS-000071
Database identifiers
- CAS
6342-98-9- PubChem CID
- 240477
- DTXSID
DTXSID40286624- ChEMBL
CHEMBL1884741- Nikkaji
- J1.797.481E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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