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

• ChemBase ID: 205222
• Molecular Formular: C19H17NO4
• Molecular Mass: 323.34258
• Monoisotopic Mass: 323.11575803
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OCN(C1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)N1COc2c(C1)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C19H17NO4/c1-12-8-18(21)24-19-15(12)6-7-17-16(19)10-20(11-23-17)13-4-3-5-14(9-13)22-2/h3-9H,10-11H2,1-2H3
• InChIKey: HOOFWFCLMJSNGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261132
• PubChem CID: 1772323

CALCULATED PROPERTIES

• Polarizability: 34.41653 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5385046
• LogD (pH = 7.4): 3.5385046
• Log P: 3.5385046
• Molar Refractivity: 90.6387 cm^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds