5,4'-Dimethoxyflavone
Basic information
- CAS
6697-63-8- Standard SMILES
COc1ccc(-c2cc(=O)c3c(OC)cccc3o2)cc1- InChIKey
LUCPCQIWHDVLMX-UHFFFAOYSA-N- Molecular formula
- C17H14O4
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.08920892
Names & identifiers
- Preferred name
- 5,4'-Dimethoxyflavone
- IUPAC
- 5-methoxy-2-(4-methoxyphenyl)chromen-4-one
Names & synonyms
5,4'-dimethoxyflavone5-methoxy-2-(4-methoxyphenyl)chromen-4-oneRefChem:527620108-414-46697-63-85-Methoxy-2-(4-methoxyphenyl)-4H-chromen-4-oneMFCD00017683ST0836565-Methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one5,4-DimethoxyflavoneKBio2_000910Spectrum_000430
Show more names
SpecPlus_000032Spectrum3_001270Spectrum4_001563Spectrum5_000186KBioGR_002086KBioSS_000910CHEMBL16775DivK1c_006128
Database identifiers
- CAS
6697-63-8- PubChem CID
- 688669
- ChEMBL
CHEMBL16775- EC Number
- 108-414-4
- Nikkaji
- J437.552A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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