ethyl 3-(4-methoxynaphthalen-1-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase ID: 226604
• Molecular Formular: C25H20O6
• Molecular Mass: 416.4227
• Monoisotopic Mass: 416.12598836
• SMILES: c12c(OC(C2c2c3c(c(cc2)OC)cccc3)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc(c3c1cccc3)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C25H20O6/c1-3-29-25(27)23-20(16-12-13-18(28-2)15-9-5-4-8-14(15)16)21-22(31-23)17-10-6-7-11-19(17)30-24(21)26/h4-13,20,23H,3H2,1-2H3
• InChIKey: BJQXOEAAHWTMDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(4-methoxynaphthalen-1-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC Traditional name: ethyl 3-(4-methoxynaphthalen-1-yl)-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

Database IDs

• PubChem SID: 164282514
• PubChem CID: 71753764

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5878816
• LogD (pH = 7.4): 3.5878816
• Log P: 3.5878816
• Molar Refractivity: 113.6452 cm^3
• Polarizability: 45.236942 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds