4-oxo-3-phenyl-4H-chromen-7-yl morpholine-4-carboxylate

• ChemBase ID: 196390
• Molecular Formular: C20H17NO5
• Molecular Mass: 351.35268
• Monoisotopic Mass: 351.11067265
• SMILES: c1(c(=O)c2c(oc1)cc(OC(=O)N1CCOCC1)cc2)c1ccccc1
• Canonical SMILES: O=C(N1CCOCC1)Oc1ccc2c(c1)occ(c2=O)c1ccccc1
• InChI: InChI=1S/C20H17NO5/c22-19-16-7-6-15(26-20(23)21-8-10-24-11-9-21)12-18(16)25-13-17(19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
• InChIKey: FNRKVNZXAHGRMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-oxo-3-phenyl-4H-chromen-7-yl morpholine-4-carboxylate
• IUPAC Traditional name: 4-oxo-3-phenylchromen-7-yl morpholine-4-carboxylate

Database IDs

• PubChem SID: 164252300
• PubChem CID: 1522852

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8401356
• LogD (pH = 7.4): 2.8401356
• Log P: 2.8401356
• Molar Refractivity: 94.4172 cm^3
• Polarizability: 36.33426 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds