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

• ChemBase ID: 190357
• Molecular Formular: C17H16O4
• Molecular Mass: 284.30654
• Monoisotopic Mass: 284.10485899
• SMILES: c1(=O)c2c(c3c(o1)cc(OC(C)C)cc3)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OC(C)C
• InChI: InChI=1S/C17H16O4/c1-10(2)20-12-5-7-14-13-6-4-11(19-3)8-15(13)17(18)21-16(14)9-12/h4-10H,1-3H3
• InChIKey: IRHALWJVYZFURZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246267
• PubChem CID: 704613

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3833678
• LogD (pH = 7.4): 3.3833678
• Log P: 3.3833678
• Molar Refractivity: 79.0329 cm^3
• Polarizability: 31.823898 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