4-phenyl-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-2,5,10-trione

• ChemBase ID: 221541
• Molecular Formular: C19H12O4
• Molecular Mass: 304.29618
• Monoisotopic Mass: 304.07355886
• SMILES: C12=C(C(=O)c3c(C1=O)cccc3)OC(=O)CC2c1ccccc1
• Canonical SMILES: O=C1CC(c2ccccc2)C2=C(O1)C(=O)c1c(C2=O)cccc1
• InChI: InChI=1S/C19H12O4/c20-15-10-14(11-6-2-1-3-7-11)16-17(21)12-8-4-5-9-13(12)18(22)19(16)23-15/h1-9,14H,10H2
• InChIKey: NPUBSAIVYMCWQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-2,5,10-trione
• IUPAC Traditional name: 4-phenyl-3H,4H-naphtho[2,3-b]pyran-2,5,10-trione

Database IDs

• PubChem SID: 164277451
• PubChem CID: 42648835

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4951015
• LogD (pH = 7.4): 2.4951015
• Log P: 2.4951015
• Molar Refractivity: 84.5265 cm^3
• Polarizability: 31.981092 Å^3
• Polar Surface Area: 60.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds