3-methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one

• ChemBase ID: 127968
• Molecular Formular: C21H18O4
• Molecular Mass: 334.36522
• Monoisotopic Mass: 334.12050906
• SMILES: COc1c(=O)c2ccc3OC(C)(C)C=Cc3c2oc1c1ccccc1
• Canonical SMILES: COc1c(oc2c(c1=O)ccc1c2C=CC(O1)(C)C)c1ccccc1
• InChI: InChI=1S/C21H18O4/c1-21(2)12-11-14-16(25-21)10-9-15-17(22)20(23-3)18(24-19(14)15)13-7-5-4-6-8-13/h4-12H,1-3H3
• InChIKey: QCLBGWSAIHOGCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one
• IUPAC Traditional name: karanjachromene
• Synonyms: Karanjachromene

Database IDs

• PubChem SID: 162222284
• PubChem CID: 14033983
• Wikipedia Title: Karanjachromene

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7340117
• LogD (pH = 7.4): 3.7340117
• Log P: 3.7340117
• Molar Refractivity: 98.0832 cm^3
• Polarizability: 36.78181 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true