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

• ChemBase ID: 204357
• Molecular Formular: C19H17NO3
• Molecular Mass: 307.34318
• Monoisotopic Mass: 307.12084341
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OCN(C1)c1c(C)cccc1
• Canonical SMILES: O=c1cc(C)c2c(o1)c1CN(COc1cc2)c1ccccc1C
• InChI: InChI=1S/C19H17NO3/c1-12-5-3-4-6-16(12)20-10-15-17(22-11-20)8-7-14-13(2)9-18(21)23-19(14)15/h3-9H,10-11H2,1-2H3
• InChIKey: VVUOGHOTUSKYGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260267
• PubChem CID: 1768508

CALCULATED PROPERTIES

• Molar Refractivity: 89.2167 cm^3
• Polarizability: 33.660126 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.209597
• LogD (pH = 7.4): 4.209597
• Log P: 4.209597

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds