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

• ChemBase ID: 185453
• Molecular Formular: C14H12O3
• Molecular Mass: 228.24328
• Monoisotopic Mass: 228.07864424
• SMILES: c1(oc2c(c1)cc1c(oc(=O)cc1)c2)C(C)C
• Canonical SMILES: O=c1ccc2c(o1)cc1c(c2)cc(o1)C(C)C
• InChI: InChI=1S/C14H12O3/c1-8(2)11-6-10-5-9-3-4-14(15)17-12(9)7-13(10)16-11/h3-8H,1-2H3
• InChIKey: KVHBNBMOEQQULB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241363
• PubChem CID: 677576

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0295396
• LogD (pH = 7.4): 3.0295396
• Log P: 3.0295396
• Molar Refractivity: 64.535 cm^3
• Polarizability: 25.520958 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds