8-methoxy-4-methyl-3-(propan-2-yloxy)-6H-benzo[c]chromen-6-one

• ChemBase ID: 190583
• Molecular Formular: C18H18O4
• Molecular Mass: 298.33312
• Monoisotopic Mass: 298.12050906
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OC(C)C)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OC(C)C
• InChI: InChI=1S/C18H18O4/c1-10(2)21-16-8-7-14-13-6-5-12(20-4)9-15(13)18(19)22-17(14)11(16)3/h5-10H,1-4H3
• InChIKey: LLJHELDPWMASBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-4-methyl-3-(propan-2-yloxy)-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 3-isopropoxy-8-methoxy-4-methylbenzo[c]chromen-6-one

Database IDs

• PubChem SID: 164246493
• PubChem CID: 800790

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8967893
• LogD (pH = 7.4): 3.8967893
• Log P: 3.8967893
• Molar Refractivity: 84.0741 cm^3
• Polarizability: 33.591377 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds