3,4,10-trimethyl-8-phenyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one

• ChemBase ID: 208570
• Molecular Formular: C21H20O3
• Molecular Mass: 320.3817
• Monoisotopic Mass: 320.1412445
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OC(CC1)c1ccccc1
• Canonical SMILES: O=c1oc2c(C)c3OC(CCc3cc2c(c1C)C)c1ccccc1
• InChI: InChI=1S/C21H20O3/c1-12-13(2)21(22)24-20-14(3)19-16(11-17(12)20)9-10-18(23-19)15-7-5-4-6-8-15/h4-8,11,18H,9-10H2,1-3H3
• InChIKey: LFGTWKSMTSGXJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,10-trimethyl-8-phenyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one
• IUPAC Traditional name: 3,4,10-trimethyl-8-phenyl-6H,7H,8H-pyrano[3,2-g]chromen-2-one

Database IDs

• PubChem SID: 164264480
• PubChem CID: 4834513

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.102752
• LogD (pH = 7.4): 5.102752
• Log P: 5.102752
• Molar Refractivity: 93.8855 cm^3
• Polarizability: 36.134724 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds