Name: Name:4H-1-Benzopyran-4-one, 2-(4-Methylphenyl)-
Brand: AABLOCKS
SKU: AA00CN63
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00CN63

Chemical Name: 4H-1-Benzopyran-4-one, 2-(4-Methylphenyl)-

CAS Number: 41255-30-5

Molecular Formula: C16H12O2

Molecular Weight: 236.2653

MDL Number: MFCD00208236

SMILES: CC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

Properties

Complexity: 350

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 18

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.9

Literature fold

Title: Design, synthesis and exploring the quantitative structure-activity relationship of some antioxidant flavonoid analogues.

Journal: Bioorganic & medicinal chemistry letters20141101

Title: A new series of flavones, thioflavones, and flavanones as selective monoamine oxidase-B inhibitors.

Journal: Bioorganic & medicinal chemistry20100201

Title: Synthesis and inhibitory activity against COX-2 catalyzed prostaglandin production of chrysin derivatives.

Journal: Bioorganic & medicinal chemistry letters20040308

41255-30-5 | 4H-1-Benzopyran-4-one, 2-(4-Methylphenyl)-