7-methoxy-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-2-one

• ChemBase ID: 199883
• Molecular Formular: C19H12O5
• Molecular Mass: 320.29558
• Monoisotopic Mass: 320.06847348
• SMILES: c1(c2c(=O)oc3c(c2)cccc3)c2c(oc(=O)c1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2c1cc2ccccc2oc1=O
• InChI: InChI=1S/C19H12O5/c1-22-12-6-7-13-14(10-18(20)23-17(13)9-12)15-8-11-4-2-3-5-16(11)24-19(15)21/h2-10H,1H3
• InChIKey: MGOCGJIZLYGKBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-2-one
• IUPAC Traditional name: 7-methoxy-4-(2-oxochromen-3-yl)chromen-2-one

Database IDs

• PubChem SID: 164255793
• PubChem CID: 908288

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7511299
• LogD (pH = 7.4): 2.7511299
• Log P: 2.7511299
• Molar Refractivity: 87.1953 cm^3
• Polarizability: 33.183445 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds