7-(benzyloxy)-3-(2-ethoxyphenoxy)-4H-chromen-4-one

• ChemBase ID: 198583
• Molecular Formular: C24H20O5
• Molecular Mass: 388.4126
• Monoisotopic Mass: 388.13107374
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1ccccc1)cc2)Oc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C24H20O5/c1-2-26-20-10-6-7-11-21(20)29-23-16-28-22-14-18(12-13-19(22)24(23)25)27-15-17-8-4-3-5-9-17/h3-14,16H,2,15H2,1H3
• InChIKey: SSCRDNHMEQIKNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(benzyloxy)-3-(2-ethoxyphenoxy)-4H-chromen-4-one
• IUPAC Traditional name: 7-(benzyloxy)-3-(2-ethoxyphenoxy)chromen-4-one

Database IDs

• PubChem SID: 164254493
• PubChem CID: 1522996

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.9924474
• LogD (pH = 7.4): 4.9924474
• Log P: 4.9924474
• Molar Refractivity: 109.803 cm^3
• Polarizability: 42.34037 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds