3'-Hydroxyflavone
Basic information
- CAS
70460-18-3- Standard SMILES
O=c1cc(-c2cccc(O)c2)oc2ccccc12- InChIKey
ISZWRZGKEWQACU-UHFFFAOYSA-N- Molecular formula
- C15H10O3
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.06299418
Names & identifiers
- Preferred name
- 3'-Hydroxyflavone
- IUPAC
- 2-(3-hydroxyphenyl)chromen-4-one
- English name
- 3'-Hydroxyflavone
- Molecular formula
- C15H10O3
- Molecular weight
- 238.24
Names & synonyms
3'-hydroxyflavone70460-18-32-(3-hydroxyphenyl)chromen-4-oneDTXSID702816474H-1-Benzopyran-4-one, 2-(3-hydroxyphenyl)-NSC 22356RefChem:90434DTXCID20232801ISZWRZGKEWQACU-UHFFFAOYSA-N2-(3-Hydroxyphenyl)-4h-Chromen-4-OneMFCD00143014NSC-22356
Show more names
4H-1-Benzopyran-4-one,2-(3-hydroxyphenyl)-(9CI)
CHEMBL1475524hlgNSC223562-(3-Hydroxyphenyl)-4H-1-benzopyran-4-one2-(3-hydroxyphenyl)chromoneSCHEMBL311580orb2695032SCHEMBL29384142
Database identifiers
- CAS
70460-18-3- PubChem CID
- 229015
- DTXSID
DTXSID70281647- ChEMBL
CHEMBL147552- Nikkaji
- J705.725C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 361
Experimental & physicochemical properties
LogP3.03
Physicochemical properties
- Melting point
- 206 · 206-208°C
- Boiling point
- 437.7 · 437.7±45.0 °C(Predicted)
- Density
- 1.34 · 1.340±0.06 g/cm3(Predicted)
- pka
- 9.01 · 9.01±0.10(Predicted)
- Major Application
- food and beveragespharmaceutical
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Pharmacology
Metabolism/Metabolites3p-Hydroxyflavone has known human metabolites that include Flavone 3p-O-glucuronide.
Applications
Usesfood and beveragespharmaceutical
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…