11,14-dimethyl-15-phenyl-9,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,11,14,16-heptaen-8-one

• ChemBase ID: 187247
• Molecular Formular: C23H16O3
• Molecular Mass: 340.37134
• Monoisotopic Mass: 340.10994437
• SMILES: c12c(c(c(o1)C)c1ccccc1)cc1c(oc(=O)c3c1cccc3)c2C
• Canonical SMILES: Cc1oc2c(c1c1ccccc1)cc1c(c2C)oc(=O)c2c1cccc2
• InChI: InChI=1S/C23H16O3/c1-13-21-18(16-10-6-7-11-17(16)23(24)26-21)12-19-20(14(2)25-22(13)19)15-8-4-3-5-9-15/h3-12H,1-2H3
• InChIKey: QJAYBNAEKBIFLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11,14-dimethyl-15-phenyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(10),2,4,6,11,14,16-heptaen-8-one
• IUPAC Traditional name: 11,14-dimethyl-15-phenyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(10),2,4,6,11,14,16-heptaen-8-one

Database IDs

• PubChem SID: 164243157
• PubChem CID: 1764480

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4446588
• LogD (pH = 7.4): 5.4446588
• Log P: 5.4446588
• Molar Refractivity: 101.1073 cm^3
• Polarizability: 42.1391 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds