3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-[(7-methoxy-2-oxo-2H-chromen-4-yl)methoxy]-4H-chromen-4-one

• ChemBase ID: 196351
• Molecular Formular: C30H24O8
• Molecular Mass: 512.50676
• Monoisotopic Mass: 512.14711773
• SMILES: c1(c(=O)c2c(oc1)cc(c(c2)CC)OCc1c2c(oc(=O)c1)cc(cc2)OC)c1cc2c(OCCO2)cc1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2COc1cc2occ(c(=O)c2cc1CC)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C30H24O8/c1-3-17-10-22-26(37-16-23(30(22)32)18-4-7-24-28(11-18)35-9-8-34-24)14-25(17)36-15-19-12-29(31)38-27-13-20(33-2)5-6-21(19)27/h4-7,10-14,16H,3,8-9,15H2,1-2H3
• InChIKey: RPAQZJCVHUXVMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-[(7-methoxy-2-oxo-2H-chromen-4-yl)methoxy]-4H-chromen-4-one
• IUPAC Traditional name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-[(7-methoxy-2-oxochromen-4-yl)methoxy]chromen-4-one

Database IDs

• PubChem SID: 164252261
• PubChem CID: 1522877

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.8139086
• LogD (pH = 7.4): 4.8139086
• Log P: 4.8139086
• Molar Refractivity: 138.6102 cm^3
• Polarizability: 53.19805 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds