2-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-1-benzofuran

• ChemBase ID: 183360
• Molecular Formular: C24H18O4
• Molecular Mass: 370.39732
• Monoisotopic Mass: 370.12050906
• SMILES: C1(C(O1)c1oc2c(c1)cccc2)C(=O)c1c(OCc2ccccc2)cccc1
• Canonical SMILES: O=C(C1OC1c1cc2c(o1)cccc2)c1ccccc1OCc1ccccc1
• InChI: InChI=1S/C24H18O4/c25-22(24-23(28-24)21-14-17-10-4-6-12-19(17)27-21)18-11-5-7-13-20(18)26-15-16-8-2-1-3-9-16/h1-14,23-24H,15H2
• InChIKey: SWEPJKUHSNMGGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-1-benzofuran
• IUPAC Traditional name: 2-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-1-benzofuran

Database IDs

• PubChem SID: 164239270
• PubChem CID: 3660108

CALCULATED PROPERTIES

• Acid pKa: 13.755456
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8273697
• LogD (pH = 7.4): 4.8273697
• Log P: 4.8273697
• Molar Refractivity: 104.7677 cm^3
• Polarizability: 41.960644 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds