Basic information
- CAS
450342-04-8- Standard SMILES
COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC- InChIKey
ZKYRYELHPFTZTI-SOFGYWHQSA-N- Molecular formula
- C20H22O6
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.14163842
Names & identifiers
- Preferred name
- (2E)-1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
- IUPAC
- (E)-1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
- English name
- (2E)-1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
- Molecular formula
- C20H22O6
- Molecular weight
- 358.39
Names & synonyms
MD2-IN-1111797-22-9(2E)-1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one(E)-1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-oneMFCD01060969450342-04-81-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-oneMDK7229CHEMBL596041orb1223429orb1303038SCHEMBL28263079
Show more names
(2E)-1-(3,4-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one2-Propen-1-one, 1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-, (2E)-
GLXC-21113EX-A3243STL519816MDK7229(MD2-IN-1)?AKOS000991201CS-7984EBC-160045DA-55299
Database identifiers
- CAS
450342-04-8- PubChem CID
- 5724738
- ChEMBL
CHEMBL596041- Nikkaji
- J2.282.504F、J2.283.985C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…