Basic information
- CAS
50990-40-4- Standard SMILES
COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1- InChIKey
IFJLNOXFRRHOQD-UHFFFAOYSA-N- Molecular formula
- C17H16O2
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.11502975
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
- IUPAC
- 3-(4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
- English name
- (2E)-3-(4-Methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
- Molecular formula
- C17H16O2
- Molecular weight
- 252.31
Names & synonyms
3-(4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-oneDTXSID10333210RefChem:1066878DTXCID2028430050990-40-44-METHOXY-4'-METHYLCHALCONE3-(4-Methoxyphenyl)-1-(p-tolyl)prop-2-en-1-oneAKOS024319225DB-015241ST504100831-(4-methylphenyl)-3-(4-methoxyphenyl)-2-propen-1-one3-(4-Methoxyphenyl)-1-(4-methylphenyl)-prop-2-en-1-one
Show more names
4'-METHYL-4-METHOXYCHALCONEtrans-4-Methoxy-4'-methylchalcone(2E)-3-(4-Methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one2-Propen-1-one, 3-(4-methoxyphenyl)-1-(4-methylphenyl)-, (2E)-
Database identifiers
- CAS
50990-40-4- PubChem CID
- 491441
- DTXSID
DTXSID10333210
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 174 · 174-176 °C(Solvent: Ethanol)
- Boiling point
- 421.88 · 421.880±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.097 · 1.097±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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