7-hydroxy-2-methyl-3-phenyl-4H-chromen-4-one
Basic information
- CAS
2859-88-3- Standard SMILES
Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1- InChIKey
BBCDTCKKROIGAB-UHFFFAOYSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Overview
7-Hydroxy-2-methylisoflavone is a member of isoflavones.
Names & identifiers
- Preferred name
- 7-hydroxy-2-methyl-3-phenyl-4H-chromen-4-one
- IUPAC
- 7-hydroxy-2-methyl-3-phenylchromen-4-one
- English name
- 7-Hydroxy-2-methyl-3-phenyl-chromen-4-one
- Molecular formula
- C16H12O3
- Molecular weight
- 252.26
Names & synonyms
7-Hydroxy-2-methyl-3-phenyl-4H-chromen-4-oneNSC 108340DTXSID70182786RefChem:546537DTXCID10105277985-257-52859-88-37-Hydroxy-2-methyl-3-phenyl-chromen-4-one7-Hydroxy-2-methylisoflavone7-hydroxy-2-methyl-3-phenylchromen-4-one4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-phenyl-MFCD00546333
Show more names
7-hydroxy-2-methyl-3-phenyl-chromone7-hydroxy-2-methyl-3-phenyl-4-chromenone
NSC108340Oprea1_229062Oprea1_370151Oprea1_832747MLS0010488557-hydroxy-2-methyl-isoflavoneCHEMBL489340SCHEMBL5266910
Database identifiers
- CAS
2859-88-3- PubChem CID
- 5380976
- DTXSID
DTXSID70182786- ChEMBL
CHEMBL489340- ChEBI
CHEBI:174321- EC Number
- 985-257-5
- Nikkaji
- J2.674.029K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
LogP3.91
Melting Point240 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 226 °C · 226 °C
- Boiling point
- 452.2 · 452.2±45.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- pka
- 6.98 · 6.98±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: 7-Hydroxy-2-methylisoflavone is a member of isoflavones.
Suppliers
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Related reactions
6 records
Compound notes
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