3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl 3-methoxybenzoate

• ChemBase ID: 196953
• Molecular Formular: C24H18O7
• Molecular Mass: 418.39552
• Monoisotopic Mass: 418.10525292
• SMILES: c1(c(=O)c2c(oc1)cc(OC(=O)c1cc(OC)ccc1)cc2)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)c1cccc(c1)OC
• InChI: InChI=1S/C24H18O7/c1-27-16-6-8-17(9-7-16)30-22-14-29-21-13-19(10-11-20(21)23(22)25)31-24(26)15-4-3-5-18(12-15)28-2/h3-14H,1-2H3
• InChIKey: LNMCZNHLNJSPFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl 3-methoxybenzoate
• IUPAC Traditional name: 3-(4-methoxyphenoxy)-4-oxochromen-7-yl 3-methoxybenzoate

Database IDs

• PubChem SID: 164252863
• PubChem CID: 1522939

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.572602
• LogD (pH = 7.4): 4.572602
• Log P: 4.572602
• Molar Refractivity: 112.2447 cm^3
• Polarizability: 43.078472 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds