2-[(2R)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl benzoate

• ChemBase ID: 207345
• Molecular Formular: C21H18O5
• Molecular Mass: 350.36462
• Monoisotopic Mass: 350.11542368
• SMILES: O1c2c(C[C@@H]1C(OC(=O)c1ccccc1)(C)C)cc1c(oc(=O)cc1)c2
• Canonical SMILES: O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(OC(=O)c1ccccc1)(C)C
• InChI: InChI=1S/C21H18O5/c1-21(2,26-20(23)13-6-4-3-5-7-13)18-11-15-10-14-8-9-19(22)25-16(14)12-17(15)24-18/h3-10,12,18H,11H2,1-2H3/t18-/m1/s1
• InChIKey: VIPXLQMQEIDXMH-GOSISDBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl benzoate
• IUPAC Traditional name: 2-[(2R)-7-oxo-2H,3H-furo[3,2-g]chromen-2-yl]propan-2-yl benzoate

Database IDs

• PubChem SID: 164263255
• PubChem CID: 1042893

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2276936
• LogD (pH = 7.4): 4.2276936
• Log P: 4.2276936
• Molar Refractivity: 96.1629 cm^3
• Polarizability: 37.027225 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds