5-[(2-methoxyphenyl)methoxy]-3,4,7-trimethyl-2H-chromen-2-one

• ChemBase ID: 194229
• Molecular Formular: C20H20O4
• Molecular Mass: 324.3704
• Monoisotopic Mass: 324.13615912
• SMILES: c1(c2c(oc(=O)c1C)cc(cc2OCc1c(OC)cccc1)C)C
• Canonical SMILES: COc1ccccc1COc1cc(C)cc2c1c(C)c(c(=O)o2)C
• InChI: InChI=1S/C20H20O4/c1-12-9-17(23-11-15-7-5-6-8-16(15)22-4)19-13(2)14(3)20(21)24-18(19)10-12/h5-10H,11H2,1-4H3
• InChIKey: KWKYAXUXYZJZSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2-methoxyphenyl)methoxy]-3,4,7-trimethyl-2H-chromen-2-one
• IUPAC Traditional name: 5-[(2-methoxyphenyl)methoxy]-3,4,7-trimethylchromen-2-one

Database IDs

• PubChem SID: 164250139
• PubChem CID: 906737

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4008565
• LogD (pH = 7.4): 4.4008565
• Log P: 4.4008565
• Molar Refractivity: 92.7679 cm^3
• Polarizability: 35.769157 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds