11,14-dimethyl-15-phenyl-9,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2(7),10,12(16),14-pentaen-8-one

• ChemBase ID: 187253
• Molecular Formular: C23H20O3
• Molecular Mass: 344.4031
• Monoisotopic Mass: 344.1412445
• SMILES: c12c(c3c(c(=O)o1)CCCC3)cc1c(oc(c1c1ccccc1)C)c2C
• Canonical SMILES: Cc1oc2c(c1c1ccccc1)cc1c(c2C)oc(=O)c2c1CCCC2
• InChI: InChI=1S/C23H20O3/c1-13-21-18(16-10-6-7-11-17(16)23(24)26-21)12-19-20(14(2)25-22(13)19)15-8-4-3-5-9-15/h3-5,8-9,12H,6-7,10-11H2,1-2H3
• InChIKey: SYFJZFJNLLAPAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11,14-dimethyl-15-phenyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2(7),10,12(16),14-pentaen-8-one
• IUPAC Traditional name: 11,14-dimethyl-15-phenyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2(7),10,12(16),14-pentaen-8-one

Database IDs

• PubChem SID: 164243163
• PubChem CID: 1764484

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4230475
• LogD (pH = 7.4): 5.4230475
• Log P: 5.4230475
• Molar Refractivity: 101.7557 cm^3
• Polarizability: 41.26889 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds