15-(4-methoxyphenyl)-11-methyl-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: 190336
• Molecular Formular: C23H16O4
• Molecular Mass: 356.37074
• Monoisotopic Mass: 356.10485899
• SMILES: c12c(c3c(c(=O)o1)cccc3)cc1c(c2C)occ1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c1cc1c(c2C)oc(=O)c2c1cccc2
• InChI: InChI=1S/C23H16O4/c1-13-21-19(20(12-26-21)14-7-9-15(25-2)10-8-14)11-18-16-5-3-4-6-17(16)23(24)27-22(13)18/h3-12H,1-2H3
• InChIKey: IBBPRXRMQOWSID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 15-(4-methoxyphenyl)-11-methyl-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: 15-(4-methoxyphenyl)-11-methyl-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: 164246246
• PubChem CID: 978494

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.087426
• LogD (pH = 7.4): 5.087426
• Log P: 5.087426
• Molar Refractivity: 102.4208 cm^3
• Polarizability: 42.829174 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds