4'-Hydroxy-6-methoxyflavone
Basic information
- CAS
4002-52-2- Standard SMILES
COc1ccc2oc(-c3ccc(O)cc3)cc(=O)c2c1- InChIKey
IGELAJYEOYKEOS-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- 4'-Hydroxy-6-methoxyflavone
- IUPAC
- 2-(4-hydroxyphenyl)-6-methoxychromen-4-one
- English name
- 4'-Hydroxy-6-methoxyflavone
- Molecular formula
- C16H12O4
- Molecular weight
- 268.26
Names & synonyms
4'-HYDROXY-6-METHOXYFLAVONE4002-52-22-(4-hydroxyphenyl)-6-methoxychromen-4-oneTNP000622-(4-HYDROXYPHENYL)-6-METHOXY-4H-CHROMEN-4-ONESCHEMBL46500622-(4-Hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-oneCHEMBL1371789SCHEMBL31675778DTXSID80350272IGELAJYEOYKEOS-UHFFFAOYSA-NAKOS024282392
Show more names
EMD-209416-METHOXY-4'-HYDROXYFLAVONE
MB00755NCGC00017198-01NCGC00017198-02NCGC00142437-01DA-28163ST0560054H-1-Benzopyran-4-one, 2-(4-hydroxyphenyl)-6-methoxy-
Database identifiers
- CAS
4002-52-2- PubChem CID
- 676306
- DTXSID
DTXSID80350272- ChEMBL
CHEMBL1371789- Nikkaji
- J326.150F
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 226 °C · 226 °C
- Boiling point
- 477.7 · 477.7±45.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- pka
- 10.38 · 10.38±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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