8-(1-benzofuran-2-yl)-2H,6H-[1,3]dioxolo[4,5-g]chromen-6-one

• ChemBase ID: 206516
• Molecular Formular: C18H10O5
• Molecular Mass: 306.269
• Monoisotopic Mass: 306.05282342
• SMILES: c1(c2c3c(oc(=O)c2)cc2c(c3)OCO2)oc2c(c1)cccc2
• Canonical SMILES: O=c1oc2cc3OCOc3cc2c(c1)c1cc2c(o1)cccc2
• InChI: InChI=1S/C18H10O5/c19-18-7-12(14-5-10-3-1-2-4-13(10)22-14)11-6-16-17(21-9-20-16)8-15(11)23-18/h1-8H,9H2
• InChIKey: WSRIROFPCJRITG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1-benzofuran-2-yl)-2H,6H-[1,3]dioxolo[4,5-g]chromen-6-one
• IUPAC Traditional name: 8-(1-benzofuran-2-yl)-2H-[1,3]dioxolo[4,5-g]chromen-6-one

Database IDs

• PubChem SID: 164262426
• PubChem CID: 1775826

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9189162
• LogD (pH = 7.4): 2.9189162
• Log P: 2.9189162
• Molar Refractivity: 89.5868 cm^3
• Polarizability: 32.122643 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds