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

• ChemBase ID: 190277
• Molecular Formular: C23H18O4
• Molecular Mass: 358.38662
• Monoisotopic Mass: 358.12050906
• SMILES: c1(=O)c2c(c3c(o1)cc(cc3)OC/C=C/c1ccccc1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OC/C=C/c1ccccc1
• InChI: InChI=1S/C23H18O4/c1-25-17-9-11-19-20-12-10-18(15-22(20)27-23(24)21(19)14-17)26-13-5-8-16-6-3-2-4-7-16/h2-12,14-15H,13H2,1H3/b8-5+
• InChIKey: LGBFCEWGUNMXLD-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246187
• PubChem CID: 5350899

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.9443736
• LogD (pH = 7.4): 4.9443736
• Log P: 4.9443736
• Molar Refractivity: 104.7967 cm^3
• Polarizability: 41.28234 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