6,2'-Dimethoxyflavone

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Basic information

CAS: 156464-92-5
Standard SMILES: COc1ccc2oc(-c3ccccc3OC)cc(=O)c2c1
InChIKey: PJJFYUAXYSKODT-UHFFFAOYSA-N
Molecular formula: C17H14O4
Average molar mass: 282.29 g/mol
Monoisotopic mass: 282.08920892

Overview

6-methoxy-2-(2-methoxyphenyl)-1-benzopyran-4-one is an ether and a member of flavonoids.

Names & identifiers

Preferred name: 6,2'-Dimethoxyflavone
IUPAC: 6-methoxy-2-(2-methoxyphenyl)chromen-4-one
English name: 6-methoxy-2-(2-methoxyphenyl)-4H-chromen-4-one
Molecular formula: C17H14O4
Molecular weight: 282.29

Names & synonyms

6,2'-dimethoxyflavone6-methoxy-2-(2-methoxyphenyl)chromen-4-one4H-1-Benzopyran-4-one, 6-methoxy-2-(2-methoxyphenyl)-RefChem:103725PJJFYUAXYSKODT-UHFFFAOYSA-N156464-92-56-methoxy-2-(2-methoxyphenyl)-4H-chromen-4-oneCHEMBL42782416-Methoxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-oneST0559846-2'-DIMETHOXYFLAVONESCHEMBL4443406

Show more names

6,2’-Dimethoxyflavone6-methoxy-2-(2-methoxyphenyl)-4H-benzo[b]pyran-4-one6-meth 6-methoxy-2-(2-methoxyphenyl)-4H-chromen-4-oneoxy- 6-methoxy-2-(2-methoxyphenyl)-4H-chromen-4-one2-(2-methoxyphenyl)-4H-chromen-4-one

SCHEMBL30660103CHEBI:94026DTXSID501370813BDBM50469111MFCD00017669AKOS024282373CCG-214602EBC-609800

Database identifiers

CAS: 156464-92-5
PubChem CID: 676288
DTXSID: DTXSID501370813
ChEMBL: CHEMBL4278241
ChEBI: CHEBI:94026

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 417

Experimental & physicochemical properties

Collision Cross Section · 2 items

161.4 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

153.99 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Melting point: 146 °C · 146 °C
Boiling point: 461.5 · 461.5±45.0 °C(Predicted)
Density: 1.242 · 1.242±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Additional notes

DefinitionChEBI: 6-methoxy-2-(2-methoxyphenyl)-1-benzopyran-4-one is an ether and a member of flavonoids.

Related reactions

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Compound notes

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