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

• ChemBase ID: 200352
• Molecular Formular: C19H18O5
• Molecular Mass: 326.34322
• Monoisotopic Mass: 326.11542368
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)OCC)Oc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccc2c(c1)occ(c2=O)Oc1ccccc1OCC
• InChI: InChI=1S/C19H18O5/c1-3-21-13-9-10-14-17(11-13)23-12-18(19(14)20)24-16-8-6-5-7-15(16)22-4-2/h5-12H,3-4H2,1-2H3
• InChIKey: SRQGFLFHMYMJOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256262
• PubChem CID: 890009

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.624782
• LogD (pH = 7.4): 3.624782
• Log P: 3.624782
• Molar Refractivity: 89.939 cm^3
• Polarizability: 34.59776 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds