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

• ChemBase ID: 197177
• Molecular Formular: C26H20O3
• Molecular Mass: 380.4352
• Monoisotopic Mass: 380.1412445
• SMILES: c12c3c(oc(=O)c1CCCCC2)cc1c(c(co1)c1cc2c(cc1)cccc2)c3
• Canonical SMILES: O=c1oc2cc3occ(c3cc2c2c1CCCCC2)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C26H20O3/c27-26-20-9-3-1-2-8-19(20)21-13-22-23(15-28-24(22)14-25(21)29-26)18-11-10-16-6-4-5-7-17(16)12-18/h4-7,10-15H,1-3,8-9H2
• InChIKey: ASEGQBCQYFHXRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 16-(naphthalen-2-yl)-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-(naphthalen-2-yl)-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: 164253087
• PubChem CID: 1750563

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.14411
• LogD (pH = 7.4): 6.14411
• Log P: 6.14411
• Molar Refractivity: 112.616 cm^3
• Polarizability: 47.193287 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