5-methoxy-15-(3-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: 191398
• Molecular Formular: C23H16O5
• Molecular Mass: 372.37014
• Monoisotopic Mass: 372.09977361
• SMILES: c1(c2c(oc1)cc1c(c3c(c(=O)o1)cc(cc3)OC)c2)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1coc2c1cc1c(c2)oc(=O)c2c1ccc(c2)OC
• InChI: InChI=1S/C23H16O5/c1-25-14-5-3-4-13(8-14)20-12-27-21-11-22-17(10-18(20)21)16-7-6-15(26-2)9-19(16)23(24)28-22/h3-12H,1-2H3
• InChIKey: YDPQXMIKBNWCQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-15-(3-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-(3-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: 164247308
• PubChem CID: 1325311

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: 43.535965 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