Basic information
- Standard SMILES
COc1ccc(C(=O)C=C(C)c2ccc(OC)cc2)cc1- InChIKey
WGRIEPVIFFQACJ-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.12559444
Names & identifiers
- Preferred name
- (2Z)-1,3-Bis(4-methoxyphenyl)-2-buten-1-one
- IUPAC
- 1,3-bis(4-methoxyphenyl)but-2-en-1-one
- English name
- (2Z)-1,3-Bis(4-methoxyphenyl)-2-buten-1-one
- Molecular formula
- C18H18O3
- Molecular weight
- 282.33
Names & synonyms
(2Z)-1,3-Bis(4-methoxyphenyl)-2-buten-1-one61000-04-21,3-bis(4-methoxyphenyl)but-2-en-1-oneCBMicro_011239Cambridge id 5154035DTXSID70347691(E)-1,3-bis(4-methoxyphenyl)but-2-en-1-one2-Buten-1-one, 1,3-bis(4-methoxyphenyl)-, (2E)-
Database identifiers
- CAS
61000-04-2- PubChem CID
- 624792
- DTXSID
DTXSID70347691
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Melting point
- 96 °C · 96 °C
- Boiling point
- 444.5 · 444.5±45.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
MolMall Sarl[email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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