1,3-dimethoxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

• ChemBase ID: 185278
• Molecular Formular: C15H16O4
• Molecular Mass: 260.28514
• Monoisotopic Mass: 260.10485899
• SMILES: c12c3c(oc(=O)c1CCCC2)cc(cc3OC)OC
• Canonical SMILES: COc1cc(OC)cc2c1c1CCCCc1c(=O)o2
• InChI: InChI=1S/C15H16O4/c1-17-9-7-12(18-2)14-10-5-3-4-6-11(10)15(16)19-13(14)8-9/h7-8H,3-6H2,1-2H3
• InChIKey: JFZQPCXOYOHJNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethoxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
• IUPAC Traditional name: 1,3-dimethoxy-7H,8H,9H,10H-cyclohexa[c]chromen-6-one

Database IDs

• PubChem SID: 164241188
• PubChem CID: 680696

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5883737
• LogD (pH = 7.4): 2.5883737
• Log P: 2.5883737
• Molar Refractivity: 70.5139 cm^3
• Polarizability: 27.380281 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