5,7-dimethoxy-3-(4-methoxyphenyl)-4H-chromen-4-one

• ChemBase ID: 183035
• Molecular Formular: C18H16O5
• Molecular Mass: 312.31664
• Monoisotopic Mass: 312.09977361
• SMILES: c1(=O)c2c(occ1c1ccc(cc1)OC)cc(cc2OC)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)c(OC)cc(c2)OC
• InChI: InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-23-16-9-13(21-2)8-15(22-3)17(16)18(14)19/h4-10H,1-3H3
• InChIKey: PVVORTURQPBPEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethoxy-3-(4-methoxyphenyl)-4H-chromen-4-one
• IUPAC Traditional name: 5,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one

Database IDs

• PubChem SID: 164238945
• PubChem CID: 136420

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8645546
• LogD (pH = 7.4): 2.8645546
• Log P: 2.8645546
• Molar Refractivity: 85.1298 cm^3
• Polarizability: 32.827873 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Genuine Natural Compounds