Basic information
- Standard SMILES
COC(=O)C(=Cc1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(C=O)cc2)cc1- InChIKey
LABIBXSBNOZRJG-UHFFFAOYSA-N- Molecular formula
- C25H22O6
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.14163842
Names & identifiers
- Preferred name
- 3-(3,5-Dimethoxyphenyl)-2-[4-(4-formylphenoxy)-phenyl]-acrylic acid methyl ester
- IUPAC
- methyl 3-(3,5-dimethoxyphenyl)-2-[4-(4-formylphenoxy)phenyl]prop-2-enoate
Names & synonyms
3-(3,5-dimethoxy-phenyl)-2-(4-(4-formyl-phenoxy)-phenyl]-acrylic acid methyl ester3-(3,5-dimethoxy-phenyl)-2-[4-(4-formyl-phenoxy)-phenyl]-acrylic acid methyl esterSCHEMBL3793596LABIBXSBNOZRJG-UHFFFAOYSA-N3-(3,5-Dimethoxy-phenyl)-2-[4-(4-formylphenoxy)-phenyl]-acrylic acid methyl ester3-(3,5-Dimethoxyphenyl)-2-[4-(4-formylphenoxy)-phenyl]-acrylic acid methyl ester
Database identifiers
- PubChem CID
- 73197847
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 589
Related reactions
15 records
Compound notes
Loading…