9-[2-methyl-6-(propan-2-yl)phenyl]-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 204468
• Molecular Formular: C27H25NO3
• Molecular Mass: 411.4923
• Monoisotopic Mass: 411.18344367
• SMILES: N1(Cc2c3c(c(cc(=O)o3)c3ccccc3)ccc2OC1)c1c(C(C)C)cccc1C
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c1CN(COc1cc2)c1c(C)cccc1C(C)C
• InChI: InChI=1S/C27H25NO3/c1-17(2)20-11-7-8-18(3)26(20)28-15-23-24(30-16-28)13-12-21-22(14-25(29)31-27(21)23)19-9-5-4-6-10-19/h4-14,17H,15-16H2,1-3H3
• InChIKey: BXVDICXZGYEWLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[2-methyl-6-(propan-2-yl)phenyl]-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(2-isopropyl-6-methylphenyl)-4-phenyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164260378
• PubChem CID: 1768817

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.5884104
• LogD (pH = 7.4): 6.5884104
• Log P: 6.5884104
• Molar Refractivity: 132.6782 cm^3
• Polarizability: 46.868126 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds