ethyl 3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase ID: 227141
• Molecular Formular: C23H20O8
• Molecular Mass: 424.4001
• Monoisotopic Mass: 424.1158176
• SMILES: c12c(OC(C2c2cc3c(c(c2)OC)OCCO3)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1cc(OC)c3c(c1)OCCO3)c(=O)oc1c2cccc1
• InChI: InChI=1S/C23H20O8/c1-3-27-23(25)21-17(12-10-15(26-2)20-16(11-12)28-8-9-29-20)18-19(31-21)13-6-4-5-7-14(13)30-22(18)24/h4-7,10-11,17,21H,3,8-9H2,1-2H3
• InChIKey: BZOJOKWSOPEFOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC Traditional name: ethyl 3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

Database IDs

• PubChem SID: 164283051
• PubChem CID: 71754277

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.1115375
• LogD (pH = 7.4): 2.1115375
• Log P: 2.1115375
• Molar Refractivity: 108.1524 cm^3
• Polarizability: 42.123524 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds