3-Methylflavone
Basic information
- CAS
71972-66-2- Standard SMILES
Cc1c(-c2ccccc2)oc2ccccc2c1=O- InChIKey
LPACBRAWRCXZGB-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- 3-Methylflavone
- IUPAC
- 3-methyl-2-phenylchromen-4-one
- English name
- 4H-1-Benzopyran-4-one,3-methyl-2-phenyl-(9CI)
- Molecular formula
- C16H12O2
- Molecular weight
- 236.27
Names & synonyms
71972-66-23-Methylflavone4H-1-Benzopyran-4-one, 3-methyl-2-phenyl-DTXSID70222257RefChem:1068300DTXCID701447483-methyl-2-phenylchromen-4-one3-methyl-2-phenyl-4H-chromen-4-one3-Methyl-2-phenyl-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one,3-methyl-2-phenyl-(9CI)4H-1-Benzopyran-4-one, 3-methyl-2-phenyl-(9CI)3-Metilflavone
Show more names
Rec-1-00253-methyl-2-phenylchromen4-on2-Phenyl-3-methyl-4H-1-benzopyran-4-one
3-Metilflavone [Italian]BRN 01800094h-1-benzopyran-4-one,3-methyl-2-phenyl-REC 1-0025methylflavoneFLAVONE, 3-METHYL-4H-1-Benzopyran-4-one, 3-methyl-2-phenyl- (9CI)Maybridge3_003148
Database identifiers
- CAS
71972-66-2- PubChem CID
- 51459
- DTXSID
DTXSID70222257- ChEMBL
CHEMBL2431806- Nikkaji
- J69.702H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
LogP3.92
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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