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

• ChemBase ID: 190368
• Molecular Formular: C19H18O4
• Molecular Mass: 310.34382
• Monoisotopic Mass: 310.12050906
• SMILES: c1(=O)c2c(c3c(o1)cc(cc3)OCC=C(C)C)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OCC=C(C)C
• InChI: InChI=1S/C19H18O4/c1-12(2)8-9-22-14-5-7-16-15-6-4-13(21-3)10-17(15)19(20)23-18(16)11-14/h4-8,10-11H,9H2,1-3H3
• InChIKey: DYNSHZSTGTZIJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246278
• PubChem CID: 905069

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.971231
• LogD (pH = 7.4): 3.971231
• Log P: 3.971231
• Molar Refractivity: 88.9837 cm^3
• Polarizability: 35.27429 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