Basic information
- Standard SMILES
COc1ccc(C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)cc1- InChIKey
XJYIPYGBDWACTE-UHFFFAOYSA-N- Molecular formula
- C19H20O5
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.13107374
Names & identifiers
- Preferred name
- CID 260070
- IUPAC
- 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
- English name
- 1-(4-METHOXYPHENYL)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-EN-1-ONE
- Molecular formula
- C19H20O5
- Molecular weight
- 328.36
Names & synonyms
1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-oneNCIOpen2_009631SCHEMBL615818DTXSID80293599AKOS034380519UPCMLD0ENAT5700965:001NCI60_0102382-Propen-1-one, 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-(2E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one(2E)-1-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Database identifiers
- CAS
105686-91-7- PubChem CID
- 260070
- DTXSID
DTXSID80293599
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Melting point
- 131 · 131-132 °C(Solvent: Methanol)
- Boiling point
- 492.461 · 492.461±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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