3-(2-methoxyphenoxy)-4-oxo-4H-chromen-7-yl 4-methoxybenzoate

• ChemBase ID: 200951
• Molecular Formular: C24H18O7
• Molecular Mass: 418.39552
• Monoisotopic Mass: 418.10525292
• SMILES: c1(c(=O)c2c(oc1)cc(OC(=O)c1ccc(cc1)OC)cc2)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)C(=O)Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1OC
• InChI: InChI=1S/C24H18O7/c1-27-16-9-7-15(8-10-16)24(26)30-17-11-12-18-21(13-17)29-14-22(23(18)25)31-20-6-4-3-5-19(20)28-2/h3-14H,1-2H3
• InChIKey: JNIBWJUTKIKXTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenoxy)-4-oxo-4H-chromen-7-yl 4-methoxybenzoate
• IUPAC Traditional name: 3-(2-methoxyphenoxy)-4-oxochromen-7-yl 4-methoxybenzoate

Database IDs

• PubChem SID: 164256861
• PubChem CID: 1806036

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: 43.0804 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