7,8-dimethoxy-4-(4-methoxyphenyl)-2H-chromen-2-one

• ChemBase ID: 192567
• Molecular Formular: C18H16O5
• Molecular Mass: 312.31664
• Monoisotopic Mass: 312.09977361
• SMILES: c12c(c(cc(=O)o2)c2ccc(cc2)OC)ccc(c1OC)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2OC)OC
• InChI: InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-16(19)23-17-13(14)8-9-15(21-2)18(17)22-3/h4-10H,1-3H3
• InChIKey: IXWVVHIJMCHVBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethoxy-4-(4-methoxyphenyl)-2H-chromen-2-one
• IUPAC Traditional name: 7,8-dimethoxy-4-(4-methoxyphenyl)chromen-2-one

Database IDs

• PubChem SID: 164248477
• PubChem CID: 888604

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7435443
• LogD (pH = 7.4): 2.7435443
• Log P: 2.7435443
• Molar Refractivity: 94.4909 cm^3
• Polarizability: 32.843594 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds