(7R)-15-bromo-7-(2-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene

• ChemBase ID: 185917
• Molecular Formular: C24H21BrO3
• Molecular Mass: 437.32574
• Monoisotopic Mass: 436.06740653
• SMILES: c12c3c(oc4c3cc(cc4)Br)CC[C@@](c1cc(o2)C)(c1c(OC)cccc1)C
• Canonical SMILES: COc1ccccc1[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)ccc(c1)Br
• InChI: InChI=1S/C24H21BrO3/c1-14-12-18-23(27-14)22-16-13-15(25)8-9-19(16)28-21(22)10-11-24(18,2)17-6-4-5-7-20(17)26-3/h4-9,12-13H,10-11H2,1-3H3/t24-/m1/s1
• InChIKey: HIBPBUBEGJPNLM-XMMPIXPASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7R)-15-bromo-7-(2-methoxyphenyl)-4,7-dimethyl-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: (7R)-15-bromo-7-(2-methoxyphenyl)-4,7-dimethyl-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: 164241827
• PubChem CID: 2255609

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.143133
• LogD (pH = 7.4): 6.143133
• Log P: 6.143133
• Molar Refractivity: 124.1877 cm^3
• Polarizability: 45.529663 Å^3
• Polar Surface Area: 35.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds