16-phenyl-10,14-dioxatetracyclo[9.7.0.02,8.013,17]octadeca-1(18),2(8),11,13(17),15-pentaen-9-one

• ChemBase ID: 196297
• Molecular Formular: C22H18O3
• Molecular Mass: 330.37652
• Monoisotopic Mass: 330.12559444
• SMILES: c12c3c(oc(=O)c1CCCCC2)cc1c(c(co1)c1ccccc1)c3
• Canonical SMILES: O=c1oc2cc3occ(c3cc2c2c1CCCCC2)c1ccccc1
• InChI: InChI=1S/C22H18O3/c23-22-16-10-6-2-5-9-15(16)17-11-18-19(14-7-3-1-4-8-14)13-24-20(18)12-21(17)25-22/h1,3-4,7-8,11-13H,2,5-6,9-10H2
• InChIKey: DICUIUAWNJZSBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 16-phenyl-10,14-dioxatetracyclo[9.7.0.0^2,^8.0^1^3,^1^7]octadeca-1(18),2(8),11,13(17),15-pentaen-9-one
• IUPAC Traditional name: 16-phenyl-10,14-dioxatetracyclo[9.7.0.0^2,^8.0^1^3,^1^7]octadeca-1(18),2(8),11,13(17),15-pentaen-9-one

Database IDs

• PubChem SID: 164252207
• PubChem CID: 907313

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1546335
• LogD (pH = 7.4): 5.1546335
• Log P: 5.1546335
• Molar Refractivity: 96.1658 cm^3
• Polarizability: 39.585773 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