4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene

• ChemBase ID: 180795
• Molecular Formular: C23H20O2
• Molecular Mass: 328.4037
• Monoisotopic Mass: 328.14632988
• SMILES: c12c3c(oc4c3cccc4)CCC(c1cc(o2)C)(c1ccccc1)C
• Canonical SMILES: Cc1oc2c(c1)C(C)(CCc1c2c2ccccc2o1)c1ccccc1
• InChI: InChI=1S/C23H20O2/c1-15-14-18-22(24-15)21-17-10-6-7-11-19(17)25-20(21)12-13-23(18,2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
• InChIKey: HXRFFUZGBFJHBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.0^2,^6.0^1^2,^1^7]heptadeca-1(10),2(6),4,12,14,16-hexaene
• IUPAC Traditional name: 4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.0^2,^6.0^1^2,^1^7]heptadeca-1(10),2(6),4,12,14,16-hexaene

Database IDs

• PubChem SID: 164236705
• PubChem CID: 2751459

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.532052
• LogD (pH = 7.4): 5.532052
• Log P: 5.532052
• Molar Refractivity: 110.1017 cm^3
• Polarizability: 40.496323 Å^3
• Polar Surface Area: 26.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds