8-methoxy-4-methyl-3-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-6H-benzo[c]chromen-6-one

• ChemBase ID: 190033
• Molecular Formular: C24H20O4
• Molecular Mass: 372.4132
• Monoisotopic Mass: 372.13615912
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OC/C=C/c1ccccc1)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OC/C=C/c1ccccc1
• InChI: InChI=1S/C24H20O4/c1-16-22(27-14-6-9-17-7-4-3-5-8-17)13-12-20-19-11-10-18(26-2)15-21(19)24(25)28-23(16)20/h3-13,15H,14H2,1-2H3/b9-6+
• InChIKey: LJJQOACPTAOTMT-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-4-methyl-3-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 8-methoxy-4-methyl-3-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzo[c]chromen-6-one

Database IDs

• PubChem SID: 164245943
• PubChem CID: 5867667

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.457795
• LogD (pH = 7.4): 5.457795
• Log P: 5.457795
• Molar Refractivity: 109.8379 cm^3
• Polarizability: 43.05049 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds