15-chloro-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: 181947
• Molecular Formular: C23H19ClO2
• Molecular Mass: 362.84876
• Monoisotopic Mass: 362.10735753
• SMILES: c12c3c(oc4c3cc(cc4)Cl)CCC(c1cc(o2)C)(c1ccccc1)C
• Canonical SMILES: Clc1ccc2c(c1)c1c(o2)CCC(c2c1oc(c2)C)(C)c1ccccc1
• InChI: InChI=1S/C23H19ClO2/c1-14-12-18-22(25-14)21-17-13-16(24)8-9-19(17)26-20(21)10-11-23(18,2)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3
• InChIKey: CGECLQBCSRMVSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 15-chloro-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: 15-chloro-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: 164237857
• PubChem CID: 2751460

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1360965
• LogD (pH = 7.4): 6.1360965
• Log P: 6.1360965
• Molar Refractivity: 114.9065 cm^3
• Polarizability: 42.282024 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