You are looking to 4-Methylacetophenone
General Information
Pubchem ID: 8500
IUPAC Name: 1-(4-methylphenyl)ethanone
Synonym/s: Melilotal, 4-Acetyltoluene
Molecular Formula: C9H10O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 134.1700
Number of Atoms: 20
Rotatable Bonds: 1
Molecular Refractivity (m³ • mol-1 ): 41.500
Physico-chemical Properties
Volume (cm³ • mol-1 ): 561.33
Solvent Accessible Surface Area (Ų): 361.53
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 1
Total Charge: 0
pKa: None
AlogP: 2.05
Polar Surface Area (Å): 28.76
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Ketone
Arene
Benzene