(2E)-1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Basic information
- CAS
940291-94-1- Standard SMILES
COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC- InChIKey
OSPIHNUGEOGEEL-JXMROGBWSA-N- Molecular formula
- C19H20O4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.13615911
Names & identifiers
- Preferred name
- (2E)-1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
- IUPAC
- (E)-1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Names & synonyms
940291-94-1(2E)-1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one1-(p-Tolyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-oneMFCD001152384'-Methyl-3,4,5-trimethoxychalconeCHEMBL593207(E)-1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-oneSCHEMBL13018515OSPIHNUGEOGEEL-JXMROGBWSA-NDTXSID701370940BDBM50588995
Show more names
STL372325AKOS001111957ST098979BIM-0040733.P0014'-Methyl-3,4,5-trimethoxychalcone, AldrichCPR9T-0049BRD-K92997683-001-01-3Z46029302
Database identifiers
- CAS
940291-94-1- PubChem CID
- 5346136
- DTXSID
DTXSID701370940- ChEMBL
CHEMBL593207- Nikkaji
- J1.621.278D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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