6-Methoxyflavanone
Basic information
- CAS
3034-04-6- Standard SMILES
COc1ccc2c(c1)C(=O)CC(c1ccccc1)O2- InChIKey
YURQMHCZHLMHIB-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.09429431
Overview
6-Methoxyflavanone is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- 6-Methoxyflavanone
- IUPAC
- 6-methoxy-2-phenyl-2,3-dihydrochromen-4-one
- English name
- 6-METHOXYFLAVANONE
- Molecular formula
- C16H14O3
- Molecular weight
- 254.28
Names & synonyms
6-Methoxyflavanone3034-04-66-methoxy-2-phenyl-2,3-dihydrochromen-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-6-methoxy-2-phenyl-NSC-501846CS44YN4Y52,3-Dihydro-6-methoxy-2-phenyl-4H-1-benzopyran-4-oneRefChem:1049476-methoxy-2-phenylchroman-4-one6-Methoxy-2-phenyl-chroman-4-oneNSC501846-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
Show more names
METHOXYFLAVANONE, 6-6-Methoxyflavanone>6-Methoxyflavanone,98%METHOXYFLAVANONE, 6-(P)6-METHOXYFLAVANONE 98%2-Phenyl-6-methoxychroman-4-one6-Methoxyflavanone, 10 mM in DMSO
MLS002667344CHEMBL476292Flavanone, 6-methoxy-Oprea1_206352(2S)-6-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-oneSCHEMBL126192MEGxp0_001702orb1683384
Database identifiers
- CAS
3034-04-6- PubChem CID
- 97860
- DTXSID
DTXSID701369258- ChEMBL
CHEMBL476292- ChEBI
CHEBI:230836- UNII
- 6CS44YN4Y5
- Nikkaji
- J285.122I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 141 · 141-143 °C(lit.)
- Boiling point
- 425.5 · 425.5±45.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- form
- powder to crystal
- color
- White to Yellow to Orange
- BRN
- 248912 · 248912
- LogP
- 3.84 · 3.840 (est)
- CAS DataBase Reference
- 3034 · 3034-04-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P264-P270-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 36 · 36/37/39-26
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
- wgk
- 3
- hs_code
- 29329900
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P271-P261-P264-P270-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Chemistry & industry
Applications
Uses6-Methoxyflavanone (6-MeOF) is an orally active flavonoid compound. 6-Methoxyflavanone has anxiolytic properties. 6-Methoxyflavanone targets unique sites on GABA-A receptors, different from traditional benzodiazepines. 6-Methoxyflavanone can be used to study anxiety disorders. 6-Methoxyflavanone readily crosses the blood brain barrier (BBB)[1].
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Compound notes
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