7-[(3-methoxyphenyl)methoxy]-4-phenyl-2H-chromen-2-one

• ChemBase ID: 188491
• Molecular Formular: C23H18O4
• Molecular Mass: 358.38662
• Monoisotopic Mass: 358.12050906
• SMILES: c1(c2c(oc(=O)c1)cc(OCc1cc(OC)ccc1)cc2)c1ccccc1
• Canonical SMILES: COc1cccc(c1)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C23H18O4/c1-25-18-9-5-6-16(12-18)15-26-19-10-11-20-21(17-7-3-2-4-8-17)14-23(24)27-22(20)13-19/h2-14H,15H2,1H3
• InChIKey: DFXGGGAMTVPAHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3-methoxyphenyl)methoxy]-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 7-[(3-methoxyphenyl)methoxy]-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164244401
• PubChem CID: 1781132

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.6256886
• LogD (pH = 7.4): 4.6256886
• Log P: 4.6256886
• Molar Refractivity: 112.6403 cm^3
• Polarizability: 39.911713 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds