4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methoxy-2H-chromen-2-one

• ChemBase ID: 204413
• Molecular Formular: C17H21NO4
• Molecular Mass: 303.35294
• Monoisotopic Mass: 303.14705816
• SMILES: c1(c2c(oc(=O)c1)cc(cc2)OC)CN1CC(OC(C1)C)C
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2CN1CC(C)OC(C1)C
• InChI: InChI=1S/C17H21NO4/c1-11-8-18(9-12(2)21-11)10-13-6-17(19)22-16-7-14(20-3)4-5-15(13)16/h4-7,11-12H,8-10H2,1-3H3
• InChIKey: ZEXPJNALIUUXEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methoxy-2H-chromen-2-one
• IUPAC Traditional name: 4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methoxychromen-2-one

Database IDs

• PubChem SID: 164260323
• PubChem CID: 3842845

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9919232
• LogD (pH = 7.4): 1.9236556
• Log P: 1.9677079
• Molar Refractivity: 83.7074 cm^3
• Polarizability: 32.59891 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds