3-(3-methylphenoxy)-7-(2-phenylethoxy)-4H-chromen-4-one

• ChemBase ID: 189738
• Molecular Formular: C24H20O4
• Molecular Mass: 372.4132
• Monoisotopic Mass: 372.13615912
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)OCCc1ccccc1)Oc1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)Oc1coc2c(c1=O)ccc(c2)OCCc1ccccc1
• InChI: InChI=1S/C24H20O4/c1-17-6-5-9-20(14-17)28-23-16-27-22-15-19(10-11-21(22)24(23)25)26-13-12-18-7-3-2-4-8-18/h2-11,14-16H,12-13H2,1H3
• InChIKey: VBBOHXUEGKMQAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methylphenoxy)-7-(2-phenylethoxy)-4H-chromen-4-one
• IUPAC Traditional name: 3-(3-methylphenoxy)-7-(2-phenylethoxy)chromen-4-one

Database IDs

• PubChem SID: 164245648
• PubChem CID: 1182811

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.595393
• LogD (pH = 7.4): 5.595393
• Log P: 5.595393
• Molar Refractivity: 108.3874 cm^3
• Polarizability: 41.518925 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds