Basic information
- CAS
6665-72-1- Standard SMILES
COc1ccc(-c2cc(=O)c3c(O)cccc3o2)cc1- InChIKey
WAGFUKCEIMCKQR-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- 5-Hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
- IUPAC
- 5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
- English name
- 5-HYDROXY-4'-METHOXYFLAVONE
- Molecular formula
- C16H12O4
- Molecular weight
- 268.26
Names & synonyms
5-Hydroxy-4'-methoxyflavone5-Hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-oneDSX3JG4QSQ5-hydroxy-2-(4-methoxyphenyl)chromen-4-oneUNII-DSX3JG4QSQNSC 123408NSC-123408DTXSID60216822FLAVONE, 5-HYDROXY-4'-METHOXY-5-HYDROXY-2-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-methoxyphenyl)-RefChem:102747
Show more names
DTXCID901393136665-72-1NSC123408CHEMBL279095SCHEMBL1764307SCHEMBL29738723XH183036ST50309358
Database identifiers
- CAS
6665-72-1- PubChem CID
- 276147
- DTXSID
DTXSID60216822- ChEMBL
CHEMBL279095- UNII
- DSX3JG4QSQ
- Nikkaji
- J1.220.385C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 155 · 155-156 °C
- Boiling point
- 456 · 456.0±45.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- pka
- 6.77 · 6.77±0.40(Predicted)
- FDA UNII
- 3 JG4QSQ · DSX3JG4QSQ
Chemistry & industry
Suppliers4 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…