Basic information
- CAS
18651-16-6- Standard SMILES
COc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1- InChIKey
HSXVWGKOFNFYFK-UHFFFAOYSA-N- Molecular formula
- C17H14O3
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.09429431
Names & identifiers
- Preferred name
- 7-Methoxy-3-methyl-2-phenylchromen-4-one
- IUPAC
- 7-methoxy-3-methyl-2-phenylchromen-4-one
- English name
- 2-Methyoxy-3-methyl-2-phenyl-4H-benzo-g-pyranone
- Molecular formula
- C17H14O3
- Molecular weight
- 266.29
Names & synonyms
18651-16-67-methoxy-3-methyl-2-phenyl-4H-chromen-4-one7-methoxy-3-methyl-2-phenylchromen-4-one2-Methyoxy-3-methyl-2-phenyl-4H-benzo-g-pyranoneNSC804797-methoxy-3-methyl-2-phenyl-4H-Benzopyran-4-oneCHEMBL502570SCHEMBL27726517DTXSID90292139NSC-804797-Methoxy-3-methyl-2-phenyl-4H-1-benzopyran-4-oneDimefline Impurity 2
Show more names
Dimefline Impurity 57-Methoxy-3-methyl-flavone7-methoxy-3-methyl-2-phenyl-1-benzopyran-4-one4H-1-Benzopyran-4-one, 7-methoxy-3-methyl-2-phenyl-
Database identifiers
- CAS
18651-16-6- PubChem CID
- 255184
- DTXSID
DTXSID90292139- ChEMBL
CHEMBL502570
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Melting point
- 116 °C · 116 °C
- Boiling point
- 427.1 · 427.1±45.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- solubility
- Acetic Acid; Dichloromethane; Ethyl Acetate; Methanol
- form
- Solid
- color
- Off-white
Chemistry & industry
Applications
Uses7-Methoxy-3-methyl-flavone is an intermediate in synthesizing Dimefline Hydrochloride (D448250). Dimefline is a new respiratory stimulant drug.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
广州市震霖医药科技有限公司18102736234 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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