7-[(3-methoxyphenyl)methoxy]-4-phenyl-6-propyl-2H-chromen-2-one

• ChemBase ID: 188514
• Molecular Formular: C26H24O4
• Molecular Mass: 400.46636
• Monoisotopic Mass: 400.16745925
• SMILES: c1(c2c(oc(=O)c1)cc(c(c2)CCC)OCc1cc(OC)ccc1)c1ccccc1
• Canonical SMILES: CCCc1cc2c(cc1OCc1cccc(c1)OC)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C26H24O4/c1-3-8-20-14-23-22(19-10-5-4-6-11-19)15-26(27)30-25(23)16-24(20)29-17-18-9-7-12-21(13-18)28-2/h4-7,9-16H,3,8,17H2,1-2H3
• InChIKey: ZNAKFDBNXBQMIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3-methoxyphenyl)methoxy]-4-phenyl-6-propyl-2H-chromen-2-one
• IUPAC Traditional name: 7-[(3-methoxyphenyl)methoxy]-4-phenyl-6-propylchromen-2-one

Database IDs

• PubChem SID: 164244424
• PubChem CID: 1781157

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.0282474
• LogD (pH = 7.4): 6.0282474
• Log P: 6.0282474
• Molar Refractivity: 126.8835 cm^3
• Polarizability: 45.36559 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds