Basic information
- CAS
53744-28-8- Standard SMILES
COc1ccc(C(=O)/C=C/c2ccccc2)cc1OC- InChIKey
DJUDWUHRZBILKP-CSKARUKUSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
Names & identifiers
- Preferred name
- 3',4'-Dimethoxychalcone
- IUPAC
- (E)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
- English name
- 3,4-Dimethoxychalcone
- Molecular formula
- C17H16O3
- Molecular weight
- 268.31
Names & synonyms
3',4'-Dimethoxychalcone(E)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one(2E)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-oneMFCD005103524087-66-5CHEMBL328801-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one3'',4''-dimethoxychalconeSCHEMBL12485314BDBM50141515STK530145AKOS005463151
Show more names
AKOS 220-383,4-DimethoxychalconeLABOTEST-BB LT00454345DIMETHOXYCHALCONE,3,4-3-(3,4-DIMETHOXYPHENYL)-1-PHENYLPROP-2-EN-1-ONE(E)-3-(3,4-DIMETHOXYPHENYL)-1-PHENYLPROP-2-EN-1-ONE(2E)-1-(3,4-Dimethoxyphenyl)-3-phenyl-2-propen-1-one2-Propen-1-one, 1-(3,4-dimethoxyphenyl)-3-phenyl-, (2E)-
EBC-615250NCGC00336669-011-(3,4-Dimethoxy-phenyl)-3-phenyl-propenoneAB01330222-02AB01330222-03AE-641/00383044(E)-1-(3,4-Dimethoxy-phenyl)-3-phenyl-propenone1-(3,4-dimethoxyphenyl)-3-phenyl-2-propen-1-one
Database identifiers
- CAS
53744-28-8- ChEMBL
CHEMBL32880- Nikkaji
- J1.915.542K、J571.644F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 88 · 88-89°C
- Boiling point
- 430.5 · 430.5±45.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- BRN
- 2620691 · 2620691
- Safety Statements
- 22 · 22-24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- safety_code
- 22-24/25
Chemistry & industry
Suppliers7 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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