(1R)-1',4'-dihydro-3H-spiro[2-benzofuran-1,3'-[2]benzopyran]-1',3-dione

• ChemBase ID: 184563
• Molecular Formular: C16H10O4
• Molecular Mass: 266.2482
• Monoisotopic Mass: 266.0579088
• SMILES: [C@]12(OC(=O)c3c1cccc3)OC(=O)c1c(C2)cccc1
• Canonical SMILES: O=C1O[C@@]2(Cc3c1cccc3)OC(=O)c1c2cccc1
• InChI: InChI=1S/C16H10O4/c17-14-11-6-2-1-5-10(11)9-16(19-14)13-8-4-3-7-12(13)15(18)20-16/h1-8H,9H2/t16-/m0/s1
• InChIKey: XNEWCZZSRLJDTQ-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1',4'-dihydro-3H-spiro[2-benzofuran-1,3'-[2]benzopyran]-1',3-dione
• IUPAC Traditional name: (1R)-4'H-spiro[2-benzofuran-1,3'-[2]benzopyran]-1',3-dione

Database IDs

• PubChem SID: 164240473
• PubChem CID: 6542774

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.50452
• LogD (pH = 7.4): 3.50452
• Log P: 3.50452
• Molar Refractivity: 71.0174 cm^3
• Polarizability: 27.300459 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds