2-Propen-1-one, 1-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-
Basic information
- CAS
57077-27-7- Standard SMILES
COc1cc(C=CC(=O)c2ccc(Cl)cc2)cc(OC)c1OC- InChIKey
IQAPXEUYWKSSTF-UHFFFAOYSA-N- Molecular formula
- C18H17ClO4
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.0815367
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-
- IUPAC
- 1-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Names & synonyms
57077-27-71-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one2-Propen-1-one, 1-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-CBMicro_041004SCHEMBL11819425DTXSID30387098AKOS030240231
Database identifiers
- CAS
57077-27-7- PubChem CID
- 2880845
- DTXSID
DTXSID30387098
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 390
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Compound notes
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