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

• ChemBase ID: 196814
• Molecular Formular: C18H16O5
• Molecular Mass: 312.31664
• Monoisotopic Mass: 312.09977361
• SMILES: c1(c(=O)c2c(oc1C)cc(cc2)OC)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OC
• InChI: InChI=1S/C18H16O5/c1-11-18(23-13-6-4-12(20-2)5-7-13)17(19)15-9-8-14(21-3)10-16(15)22-11/h4-10H,1-3H3
• InChIKey: KUXCGFRJSYXULW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252724
• PubChem CID: 890010

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.1132388
• LogD (pH = 7.4): 3.1132388
• Log P: 3.1132388
• Molar Refractivity: 86.2609 cm^3
• Polarizability: 32.756893 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