12,15-dimethyl-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: 197017
• Molecular Formular: C24H22O3
• Molecular Mass: 358.42968
• Monoisotopic Mass: 358.15689456
• SMILES: c12c(c3c(c(=O)o1)CCCCC3)cc1c(oc(c1c1ccccc1)C)c2C
• Canonical SMILES: Cc1oc2c(c1c1ccccc1)cc1c(c2C)oc(=O)c2c1CCCCC2
• InChI: InChI=1S/C24H22O3/c1-14-22-19(17-11-7-4-8-12-18(17)24(25)27-22)13-20-21(15(2)26-23(14)20)16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3
• InChIKey: GPGMGPMPOPUVAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12,15-dimethyl-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: 12,15-dimethyl-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: 164252927
• PubChem CID: 1750160

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.867616
• LogD (pH = 7.4): 5.867616
• Log P: 5.867616
• Molar Refractivity: 106.3567 cm^3
• Polarizability: 43.11579 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