Basic information
- CAS
13698-23-2- Standard SMILES
COc1ccc(-c2cc(=O)c3c(OC)cc(O)cc3o2)cc1- InChIKey
CYNUHRSKTJZUFW-UHFFFAOYSA-N- Molecular formula
- C17H14O5
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.08412354
Overview
7-hydroxy-5-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 7-hydroxy-5-methoxy-2-(4-methoxyphenyl)-
- IUPAC
- 7-hydroxy-5-methoxy-2-(4-methoxyphenyl)chromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 7-hydroxy-5-methoxy-2-(4-methoxyphenyl)-
- Molecular formula
- C17H14O5
- Molecular weight
- 298.29
Names & synonyms
13698-23-27-hydroxy-5-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-oneSPBio_0009307-hydroxy-5-methoxy-2-(4-methoxyphenyl)chromen-4-one4H-1-Benzopyran-4-one, 7-hydroxy-5-methoxy-2-(4-methoxyphenyl)-Spectrum2_000795BSPBio_002840SCHEMBL42793237-hydroxy-5,4'-dimethoxyflavoneDTXSID80425156CHEBI:193401CCG-40173
Show more names
NCGC00178441-017-Hydroxy-5-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
13698-23-2- PubChem CID
- 6728945
- DTXSID
DTXSID80425156- ChEBI
CHEBI:193401- Nikkaji
- J2.552.919G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Melting point
- 298 °C · 298 °C (decomp)
- Boiling point
- 533.7 · 533.7±50.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- pka
- 6.66 · 6.66±0.40(Predicted)
Chemistry & industry
Suppliers1 total
上海孚宇生物科技有限公司18672534757 · [email protected]
Additional notes
DefinitionChEBI: 7-hydroxy-5-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one is a member of flavonoids and an ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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