5-methoxy-15-(4-methoxyphenyl)-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: 192529
• Molecular Formular: C23H16O5
• Molecular Mass: 372.37014
• Monoisotopic Mass: 372.09977361
• SMILES: c1(=O)c2c(c3c(o1)cc1c(c(co1)c1ccc(cc1)OC)c3)ccc(c2)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c1cc1c(c2)oc(=O)c2c1ccc(c2)OC
• InChI: InChI=1S/C23H16O5/c1-25-14-5-3-13(4-6-14)20-12-27-21-11-22-17(10-18(20)21)16-8-7-15(26-2)9-19(16)23(24)28-22/h3-12H,1-2H3
• InChIKey: IJEKXFHVLVHLRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-15-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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: 164248439
• PubChem CID: 1776740

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4163337
• LogD (pH = 7.4): 4.4163337
• Log P: 4.4163337
• Molar Refractivity: 103.8428 cm^3
• Polarizability: 43.532707 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds