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

• ChemBase ID: 190447
• Molecular Formular: C19H18O4
• Molecular Mass: 310.34382
• Monoisotopic Mass: 310.12050906
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCC(=C)C)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OCC(=C)C
• InChI: InChI=1S/C19H18O4/c1-11(2)10-22-17-8-7-15-14-6-5-13(21-4)9-16(14)19(20)23-18(15)12(17)3/h5-9H,1,10H2,2-4H3
• InChIKey: SCWBNWIYTVROLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246357
• PubChem CID: 800933

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.098017
• LogD (pH = 7.4): 4.098017
• Log P: 4.098017
• Molar Refractivity: 88.3514 cm^3
• Polarizability: 35.197365 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds