Basic information
- CAS
35241-55-5- Standard SMILES
COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1- InChIKey
MDMCODCJMHTFIZ-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Overview
2',6'-dihydroxy-4'-methoxydihydrochalcone is a member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 2' and 6' and a methoxy group at position 4' respectively. It has a role as a radical scavenger and an antiplasmodial drug. It is a monomethoxybenzene, a polyphenol and a member of dihydrochalcones. It is functionally related to a dihydrochalcone.
Names & identifiers
- Preferred name
- 2',6'-Dihydroxy-4'-methoxydihydrochalcone
- IUPAC
- 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
- English name
- 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
- Molecular formula
- C16H16O4
- Molecular weight
- 272.3
Names & synonyms
35241-55-51-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one2',6'-Dihydroxy-4'-methoxydihydrochalconeEEW35E6HOLCHEBI:28523DTXSID80188734RefChem:80163DTXCID401112252',6'-dihydroxy-4'-methoxydihydro-chalcone252-459-32',6'-Dihydroxy 4'-methoxydihydrochalcone1-(2,6-Dihydroxy-4-methoxy-phenyl)-3-phenyl-propan-1-one
Show more names
Dihydroxy 4-methoxydihydrochalcone2`,6`-Dihydroxy 4`-methoxydihydrochalcone-RM2',6'-Dihydroxy 4'-methoxydihydrochalcone (Standard)1-Propanone, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanoneCHEMBL486009EINECS 252-459-3UNII-EEW35E6HOLorb1683789orb3139124SCHEMBL4742840MDMCODCJMHTFIZ-UHFFFAOYSA-N
Database identifiers
- CAS
35241-55-5- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 300
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
Melting Point174 - 175 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 172 · 172-175 °C(Solv: benzene (71-43-2))
- Boiling point
- 488.5 · 488.5±45.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 7 · 7.00±0.40(Predicted)
- Major Application
- food and beverages
- InChI
- 1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3
- InChIKey
- MDMCODCJMHTFIZ-UHFFFAOYSA-N
- SMILES
- O(C)c1cc(c(c(c1)O)C(=O)CCc2ccccc2)O
- FDA UNII
- 35 E6HOL · EEW35E6HOL
Safety & regulation
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Usesfood and beverages
Suppliers15 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
TransMIT GmbH PlantMetaChem+49-172-1024293 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [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]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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