3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl 2-methoxybenzoate

• ChemBase ID: 193822
• Molecular Formular: C28H24O7
• Molecular Mass: 472.48596
• Monoisotopic Mass: 472.15220311
• SMILES: c1(c(=O)c2c(oc1C)cc(OC(=O)c1c(OC)cccc1)c(c2)CC)c1cc2c(OCCO2)cc1
• Canonical SMILES: CCc1cc2c(cc1OC(=O)c1ccccc1OC)oc(c(c2=O)c1ccc2c(c1)OCCO2)C
• InChI: InChI=1S/C28H24O7/c1-4-17-13-20-24(15-23(17)35-28(30)19-7-5-6-8-21(19)31-3)34-16(2)26(27(20)29)18-9-10-22-25(14-18)33-12-11-32-22/h5-10,13-15H,4,11-12H2,1-3H3
• InChIKey: ZUEVDQYXWHOEJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl 2-methoxybenzoate
• IUPAC Traditional name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl 2-methoxybenzoate

Database IDs

• PubChem SID: 164249732
• PubChem CID: 1427642

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.514528
• LogD (pH = 7.4): 5.514528
• Log P: 5.514528
• Molar Refractivity: 130.425 cm^3
• Polarizability: 49.701366 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds