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

• ChemBase ID: 188299
• Molecular Formular: C25H22O4
• Molecular Mass: 386.43978
• Monoisotopic Mass: 386.15180918
• SMILES: c1(c2c(oc(=O)c1)cc(c(c2)CC)OCc1ccc(cc1)OC)c1ccccc1
• Canonical SMILES: CCc1cc2c(cc1OCc1ccc(cc1)OC)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C25H22O4/c1-3-18-13-22-21(19-7-5-4-6-8-19)14-25(26)29-24(22)15-23(18)28-16-17-9-11-20(27-2)12-10-17/h4-15H,3,16H2,1-2H3
• InChIKey: QDPJABCDTUYAGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-7-[(4-methoxyphenyl)methoxy]-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 6-ethyl-7-[(4-methoxyphenyl)methoxy]-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164244209
• PubChem CID: 1780926

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.5836787
• LogD (pH = 7.4): 5.5836787
• Log P: 5.5836787
• Molar Refractivity: 122.2825 cm^3
• Polarizability: 43.521336 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds