Basic information
- CAS
78423-10-6- Standard SMILES
CCC(C(=O)c1ccc(OC)cc1)c1ccccc1- InChIKey
IADSVVKUBCYPIR-UHFFFAOYSA-N- Molecular formula
- C17H18O2
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.13067982
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-2-phenylbutan-1-one
- IUPAC
- 1-(4-methoxyphenyl)-2-phenylbutan-1-one
- English name
- 1-(4-Methoxyphenyl)-2-phenylbutan-1-one
- Molecular formula
- C17H18O2
- Molecular weight
- 254.32
Names & synonyms
1-(4-methoxyphenyl)-2-phenylbutan-1-one78423-10-6DTXSID60394578RefChem:225332DTXCID503454381-(4-Methoxyphenyl)-2-phenyl-1-butanone1-Butanone, 1-(4-methoxyphenyl)-2-phenyl-1-(4-Methoxyphenyl)-2-phenyl-1-oxobutaneSCHEMBL5114421alpha-ethyl-4-methoxydesoxybenzoinIADSVVKUBCYPIR-UHFFFAOYSA-NSTK526049
Show more names
AKOS005459423FM253231-(4-methoxyphenyl)-2-phenyl-butan-1-oneDB-290781CS-03578621-(4'-methoxyphenyl)-2-phenyl-n-butan-1-oneF750276
Database identifiers
- CAS
78423-10-6- PubChem CID
- 3642181
- DTXSID
DTXSID60394578- Nikkaji
- J1.101.853J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 45 °C · 45 °C
- Boiling point
- 215 · 215-220 °C(Press: 20 Torr)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- solubility
- Dichlormethane, Methanol
- form
- Solid
- color
- White
Chemistry & industry
Applications
UsesAn intermediate for the synthesis of Tamoxifen.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
7 records
Compound notes
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