7,9-dimethoxy-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

• ChemBase ID: 185472
• Molecular Formular: C14H14O4
• Molecular Mass: 246.25856
• Monoisotopic Mass: 246.08920893
• SMILES: c12c3c(oc(=O)c1CCC2)cc(cc3OC)OC
• Canonical SMILES: COc1cc(OC)cc2c1c1CCCc1c(=O)o2
• InChI: InChI=1S/C14H14O4/c1-16-8-6-11(17-2)13-9-4-3-5-10(9)14(15)18-12(13)7-8/h6-7H,3-5H2,1-2H3
• InChIKey: DGLJLGBVHRQILR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,9-dimethoxy-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
• IUPAC Traditional name: 7,9-dimethoxy-1H,2H,3H-cyclopenta[c]chromen-4-one

Database IDs

• PubChem SID: 164241382
• PubChem CID: 164788

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.143805
• LogD (pH = 7.4): 2.143805
• Log P: 2.143805
• Molar Refractivity: 65.9129 cm^3
• Polarizability: 25.543682 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds