5-methoxy-15-phenyl-9,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one

• ChemBase ID: 192599
• Molecular Formular: C22H14O4
• Molecular Mass: 342.34416
• Monoisotopic Mass: 342.08920893
• SMILES: c1(=O)c2c(c3c(o1)cc1c(c(co1)c1ccccc1)c3)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2cc2c(c1)occ2c1ccccc1
• InChI: InChI=1S/C22H14O4/c1-24-14-7-8-15-16-10-17-19(13-5-3-2-4-6-13)12-25-20(17)11-21(16)26-22(23)18(15)9-14/h2-12H,1H3
• InChIKey: JSLBYJTUPDLCBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-15-phenyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one
• IUPAC Traditional name: 5-methoxy-15-phenyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one

Database IDs

• PubChem SID: 164248509
• PubChem CID: 707816

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.574005
• LogD (pH = 7.4): 4.574005
• Log P: 4.574005
• Molar Refractivity: 97.3796 cm^3
• Polarizability: 41.064102 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds