(2R)-2-(2-chloropropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 206187
• Molecular Formular: C14H13ClO3
• Molecular Mass: 264.70422
• Monoisotopic Mass: 264.05532196
• SMILES: O1c2c(C[C@@H]1C(Cl)(C)C)cc1c(oc(=O)cc1)c2
• Canonical SMILES: O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(Cl)(C)C
• InChI: InChI=1S/C14H13ClO3/c1-14(2,15)12-6-9-5-8-3-4-13(16)18-10(8)7-11(9)17-12/h3-5,7,12H,6H2,1-2H3/t12-/m1/s1
• InChIKey: JJWGGVNWXYAHRI-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262097
• PubChem CID: 755716

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0869853
• LogD (pH = 7.4): 3.0869853
• Log P: 3.0869853
• Molar Refractivity: 69.3919 cm^3
• Polarizability: 26.621002 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds