Basic information
- CAS
35241-54-4- Standard SMILES
COc1ccc(CCC(=O)c2c(O)cc(OC)cc2O)cc1- InChIKey
VVDZZNWYISOIDK-UHFFFAOYSA-N- Molecular formula
- C17H18O5
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.11542367
Overview
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one has been reported in Pityrogramma calomelanos, Pityrogramma ebenea, and other organisms with data available.
Names & identifiers
- Preferred name
- 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propanone
- IUPAC
- 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
- English name
- 2',6'-Dihydroxy-4,4'-dimethoxydihydrochalcone
- Molecular formula
- C17H18O5
- Molecular weight
- 302.32
Names & synonyms
35241-54-41-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propanoneDTXSID00956679RefChem:1053857DTXCID701384636252-458-8Calomelanone2',6'-Dihydroxy-4,4'-dimethoxydihydrochalconeEINECS 252-458-82',6'-Dihydroxy 4',4-dimethoxydihydrochalconeMFCD00017365
Show more names
DIMETHOXYDIHYDROXYCHALCONEPHLORETIN-4,4'-DIMETHYL ETHERDihydroxy 4.4-dimethoxydihydrochalcone2',6'-Dihydroxy 4',4-DimethoxydihydrochalkoneDIHYDROXY-4,4'-DIMETHOXYDIHYDROCHALCONE, 2',6'2`,6`-Dihydroxy 4`,4-dimethoxydihydrochalcone-RMDIHYDROXY-4,4'-DIMETHOXYDIHYDROCHALCONE, 2',6'-(RG)
Phloretin-4,4'-dimethyletherorb1991742SCHEMBL5084404CHEMBL3264622VVDZZNWYISOIDK-UHFFFAOYSA-N1-Propanone, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-LMPK12120546AKOS027379573
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 147 °C · 147°C
- Major Application
- food and beverages
- InChI
- 1S/C17H18O5/c1-21-12-6-3-11(4-7-12)5-8-14(18)17-15(19)9-13(22-2)10-16(17)20/h3-4,6-7,9-10,19-20H,5,8H2,1-2H3
- InChIKey
- VVDZZNWYISOIDK-UHFFFAOYSA-N
- SMILES
- O(C)c1cc(c(c(c1)O)C(=O)CCc2ccc(cc2)OC)O
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usesfood and beverages
Suppliers12 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
TransMIT GmbH PlantMetaChem+49-172-1024293 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
成都仪睿生物科技有限公司18224028459 18224028459 · [email protected]
成都仪捷睿生物科技有限公司18224018291 18224018291 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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