Basic information
- CAS
54299-52-4- Standard SMILES
COc1cc(O)c(OC)c(O)c1C(=O)C=CC1C=CC=CC1- InChIKey
QSFJZASSJMHSKG-UHFFFAOYSA-N- Molecular formula
- C17H18O5
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.11542367
Names & identifiers
- Preferred name
- 3-(Cyclohexa-2,4-dien-1-yl)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)prop-2-en-1-one
- IUPAC
- 3-cyclohexa-2,4-dien-1-yl-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)prop-2-en-1-one
- English name
- 2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone
- Molecular formula
- C17H18O5
- Molecular weight
- 302.32
Names & synonyms
DTXSID407028143-(Cyclohexa-2,4-dien-1-yl)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)prop-2-en-1-one-dimethoxydihydrochalcone2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone1-(2,4-Dihydroxy-3,6-dimethoxyphenyl)-3-phenyl-1-propanone1-Propanone, 1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-phenyl-3-cyclohexa-2,4-dien-1-yl-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)prop-2-en-1-one
Database identifiers
- CAS
54299-52-4- PubChem CID
- 53440802
- DTXSID
DTXSID40702814
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Boiling point
- 524.707 · 524.707±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 7.279 · 7.279±0.45(predicted)
Chemistry & industry
Applications
Uses1-(2,4-Dihydroxy-3,6-dimethoxyphenyl)-3-phenylpropan-1-one is a Chalcones product that can be isolated from the herbs of Sarcandra glabra[1].
Suppliers21 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
南京道斯夫生物科技有限公司16651696448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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