15-methyl-16-phenyl-10,14-dioxatetracyclo[9.7.0.02,8.013,17]octadeca-1(11),2(8),12,15,17-pentaen-9-one

• ChemBase ID: 196699
• Molecular Formular: C23H20O3
• Molecular Mass: 344.4031
• Monoisotopic Mass: 344.1412445
• SMILES: c12c(c(oc1cc1c(c3c(c(=O)o1)CCCCC3)c2)C)c1ccccc1
• Canonical SMILES: Cc1oc2c(c1c1ccccc1)cc1c(c2)oc(=O)c2c1CCCCC2
• InChI: InChI=1S/C23H20O3/c1-14-22(15-8-4-2-5-9-15)19-12-18-16-10-6-3-7-11-17(16)23(24)26-20(18)13-21(19)25-14/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3
• InChIKey: LEOSSFUSKMWPAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 15-methyl-16-phenyl-10,14-dioxatetracyclo[9.7.0.0^2,^8.0^1^3,^1^7]octadeca-1(11),2(8),12,15,17-pentaen-9-one
• IUPAC Traditional name: 15-methyl-16-phenyl-10,14-dioxatetracyclo[9.7.0.0^2,^8.0^1^3,^1^7]octadeca-1(11),2(8),12,15,17-pentaen-9-one

Database IDs

• PubChem SID: 164252609
• PubChem CID: 907370

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.354195
• LogD (pH = 7.4): 5.354195
• Log P: 5.354195
• Molar Refractivity: 101.3155 cm^3
• Polarizability: 41.34944 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