7,9-bis[(2-methylprop-2-en-1-yl)oxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

• ChemBase ID: 185092
• Molecular Formular: C20H22O4
• Molecular Mass: 326.38628
• Monoisotopic Mass: 326.15180918
• SMILES: c12c3c(oc(=O)c1CCC2)cc(cc3OCC(=C)C)OCC(=C)C
• Canonical SMILES: CC(=C)COc1cc(OCC(=C)C)c2c(c1)oc(=O)c1c2CCC1
• InChI: InChI=1S/C20H22O4/c1-12(2)10-22-14-8-17(23-11-13(3)4)19-15-6-5-7-16(15)20(21)24-18(19)9-14/h8-9H,1,3,5-7,10-11H2,2,4H3
• InChIKey: GECQKIZQZOPCHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,9-bis[(2-methylprop-2-en-1-yl)oxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
• IUPAC Traditional name: 7,9-bis[(2-methylprop-2-en-1-yl)oxy]-1H,2H,3H-cyclopenta[c]chromen-4-one

Database IDs

• PubChem SID: 164241002
• PubChem CID: 1590746

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.093027
• LogD (pH = 7.4): 4.093027
• Log P: 4.093027
• Molar Refractivity: 92.8023 cm^3
• Polarizability: 36.09382 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds