15-methyl-9,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one

• ChemBase ID: 186082
• Molecular Formular: C16H10O3
• Molecular Mass: 250.2488
• Monoisotopic Mass: 250.06299418
• SMILES: c1(=O)oc2c(c3c1cccc3)cc1c(c2)occ1C
• Canonical SMILES: Cc1coc2c1cc1c(c2)oc(=O)c2c1cccc2
• InChI: InChI=1S/C16H10O3/c1-9-8-18-14-7-15-13(6-12(9)14)10-4-2-3-5-11(10)16(17)19-15/h2-8H,1H3
• InChIKey: BHXHQTVWYLEETE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 15-methyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one
• IUPAC Traditional name: 15-methyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one

Database IDs

• PubChem SID: 164241992
• PubChem CID: 707800

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5978723
• LogD (pH = 7.4): 3.5978723
• Log P: 3.5978723
• Molar Refractivity: 70.8214 cm^3
• Polarizability: 29.296207 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds