4-(2-methoxyphenyl)-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-2,5,10-trione

• ChemBase ID: 221349
• Molecular Formular: C20H14O5
• Molecular Mass: 334.32216
• Monoisotopic Mass: 334.08412355
• SMILES: C12=C(C(=O)c3c(C1=O)cccc3)OC(=O)CC2c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C1CC(=O)OC2=C1C(=O)c1c(C2=O)cccc1
• InChI: InChI=1S/C20H14O5/c1-24-15-9-5-4-6-11(15)14-10-16(21)25-20-17(14)18(22)12-7-2-3-8-13(12)19(20)23/h2-9,14H,10H2,1H3
• InChIKey: RCFWLGVUHKTXJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277259
• PubChem CID: 42648784

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3374302
• LogD (pH = 7.4): 2.3374302
• Log P: 2.3374302
• Molar Refractivity: 90.9897 cm^3
• Polarizability: 34.509792 Å^3
• Polar Surface Area: 69.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds