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Chemical structure of 4'-Methyl-β-naphthoflavone

GC71257

4'-Methyl-β-naphthoflavone

Also known as 3-(4-methylphenyl)benzo[f]chromen-1-one

4'-Methyl-β-naphthoflavone is a metabolite of Naphthoflavones (benzoflavones) in fungal

ChemicalCAS1282513-75-0MW286.32FormulaC20H14O2
CAS number
1282513-75-0
Molecular weight
286.32
Formula
C20H14O2
Solubility
DMSO ： 10 mg/mL (34·93 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
RCJBVSDMTQRCFC-UHFFFAOYSA-N
Catalogue number
GC71257
Brand
GLPBIO
Computed properties PubChem CID 56833934 · XLogP 4.8 · TPSA 26.3 Ų · H-bond donors 0
XLogP
4.8
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
22

SMILES CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43

Computed descriptors from PubChem (CID 56833934), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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