7-(benzyloxy)-3-phenyl-6-propyl-4H-chromen-4-one

• ChemBase ID: 181901
• Molecular Formular: C25H22O3
• Molecular Mass: 370.44038
• Monoisotopic Mass: 370.15689456
• SMILES: c1(c(=O)c2c(oc1)cc(c(c2)CCC)OCc1ccccc1)c1ccccc1
• Canonical SMILES: CCCc1cc2c(cc1OCc1ccccc1)occ(c2=O)c1ccccc1
• InChI: InChI=1S/C25H22O3/c1-2-9-20-14-21-24(15-23(20)27-16-18-10-5-3-6-11-18)28-17-22(25(21)26)19-12-7-4-8-13-19/h3-8,10-15,17H,2,9,16H2,1H3
• InChIKey: MBRHBPTWQMXMAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(benzyloxy)-3-phenyl-6-propyl-4H-chromen-4-one
• IUPAC Traditional name: 7-(benzyloxy)-3-phenyl-6-propylchromen-4-one

Database IDs

• PubChem SID: 164237811
• PubChem CID: 1585248

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.306929
• LogD (pH = 7.4): 6.306929
• Log P: 6.306929
• Molar Refractivity: 111.0592 cm^3
• Polarizability: 42.85311 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds