3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)oxolan-2-one

• ChemBase ID: 185973
• Molecular Formular: C19H20O5
• Molecular Mass: 328.3591
• Monoisotopic Mass: 328.13107374
• SMILES: C1(=O)OC(CC1c1cc(c(cc1)OC)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C1OC(=O)C(C1)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C19H20O5/c1-21-14-7-4-12(5-8-14)17-11-15(19(20)24-17)13-6-9-16(22-2)18(10-13)23-3/h4-10,15,17H,11H2,1-3H3
• InChIKey: IJNCGOGYIFLFHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)oxolan-2-one
• IUPAC Traditional name: 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)oxolan-2-one

Database IDs

• PubChem SID: 164241883
• PubChem CID: 4061611

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.137568
• LogD (pH = 7.4): 3.137568
• Log P: 3.137568
• Molar Refractivity: 88.65 cm^3
• Polarizability: 34.87665 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Rare Derivatives of Natural Compounds