4-methyl-10-phenyl-2H,8H,9H,10H-pyrano[2,3-h]chromene-2,8-dione

• ChemBase ID: 226504
• Molecular Formular: C19H14O4
• Molecular Mass: 306.31206
• Monoisotopic Mass: 306.08920893
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OC(=O)CC1c1ccccc1
• Canonical SMILES: O=C1Oc2ccc3c(c2C(C1)c1ccccc1)oc(=O)cc3C
• InChI: InChI=1S/C19H14O4/c1-11-9-16(20)23-19-13(11)7-8-15-18(19)14(10-17(21)22-15)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3
• InChIKey: CVKZCYPNRMKDEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-10-phenyl-2H,8H,9H,10H-pyrano[2,3-h]chromene-2,8-dione
• IUPAC Traditional name: 4-methyl-10-phenyl-9H,10H-pyrano[2,3-h]chromene-2,8-dione

Database IDs

• PubChem SID: 164282414
• PubChem CID: 71753669

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.416501
• LogD (pH = 7.4): 3.416501
• Log P: 3.416501
• Molar Refractivity: 84.8715 cm^3
• Polarizability: 32.665943 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds