7-methoxy-3-(4-methoxyphenyl)-4-methyl-2H-chromen-2-one

• ChemBase ID: 223431
• Molecular Formular: C18H16O4
• Molecular Mass: 296.31724
• Monoisotopic Mass: 296.10485899
• SMILES: c1(=O)c(c(c2c(o1)cc(cc2)OC)C)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c(=O)oc2c(c1C)ccc(c2)OC
• InChI: InChI=1S/C18H16O4/c1-11-15-9-8-14(21-3)10-16(15)22-18(19)17(11)12-4-6-13(20-2)7-5-12/h4-10H,1-3H3
• InChIKey: QKTZSGVZWBCCAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-3-(4-methoxyphenyl)-4-methyl-2H-chromen-2-one
• IUPAC Traditional name: 7-methoxy-3-(4-methoxyphenyl)-4-methylchromen-2-one

Database IDs

• PubChem SID: 164279341
• PubChem CID: 688975

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4354994
• LogD (pH = 7.4): 3.4354994
• Log P: 3.4354994
• Molar Refractivity: 83.2091 cm^3
• Polarizability: 32.22816 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds