7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethyl-2H-chromen-2-one

• ChemBase ID: 188111
• Molecular Formular: C20H20O4
• Molecular Mass: 324.3704
• Monoisotopic Mass: 324.13615912
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OCc1c(OC)cccc1)C)C
• Canonical SMILES: COc1ccccc1COc1ccc2c(c1C)oc(=O)c(c2C)C
• InChI: InChI=1S/C20H20O4/c1-12-13(2)20(21)24-19-14(3)17(10-9-16(12)19)23-11-15-7-5-6-8-18(15)22-4/h5-10H,11H2,1-4H3
• InChIKey: YRYHPTVWHDSOAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethyl-2H-chromen-2-one
• IUPAC Traditional name: 7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one

Database IDs

• PubChem SID: 164244021
• PubChem CID: 800958

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: 35.76909 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