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

• ChemBase ID: 190121
• Molecular Formular: C18H16O4
• Molecular Mass: 296.31724
• Monoisotopic Mass: 296.10485899
• SMILES: c1(=O)c2c(c3c(o1)cc(OCC(=C)C)cc3)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OCC(=C)C
• InChI: InChI=1S/C18H16O4/c1-11(2)10-21-13-5-7-15-14-6-4-12(20-3)8-16(14)18(19)22-17(15)9-13/h4-9H,1,10H2,2-3H3
• InChIKey: UFXRILSPDDSJOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246031
• PubChem CID: 885511

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.584596
• LogD (pH = 7.4): 3.584596
• Log P: 3.584596
• Molar Refractivity: 83.3102 cm^3
• Polarizability: 33.42959 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