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

• ChemBase ID: 205741
• Molecular Formular: C17H19NO5
• Molecular Mass: 317.33646
• Monoisotopic Mass: 317.12632271
• SMILES: c1(c2c(oc(=O)c1)cc1c(c2)OCO1)CN1CC(OC(C1)C)C
• Canonical SMILES: CC1CN(CC(O1)C)Cc1cc(=O)oc2c1cc1OCOc1c2
• InChI: InChI=1S/C17H19NO5/c1-10-6-18(7-11(2)22-10)8-12-3-17(19)23-14-5-16-15(4-13(12)14)20-9-21-16/h3-5,10-11H,6-9H2,1-2H3
• InChIKey: MWCWHPXKIQVACZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261651
• PubChem CID: 3841037

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.075036
• LogD (pH = 7.4): 1.7287339
• Log P: 1.7486126
• Molar Refractivity: 83.0111 cm^3
• Polarizability: 32.572895 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds