2-[2-(2-methoxyphenoxy)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

• ChemBase ID: 240033
• Molecular Formular: C17H15NO4
• Molecular Mass: 297.3053
• Monoisotopic Mass: 297.10010797
• SMILES: N1(C(=O)c2c(C1=O)cccc2)CCOc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OCCN1C(=O)c2c(C1=O)cccc2
• InChI: InChI=1S/C17H15NO4/c1-21-14-8-4-5-9-15(14)22-11-10-18-16(19)12-6-2-3-7-13(12)17(18)20/h2-9H,10-11H2,1H3
• InChIKey: WRBSZMMWHCAUKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-methoxyphenoxy)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
• IUPAC Traditional name: 2-[2-(2-methoxyphenoxy)ethyl]isoindole-1,3-dione
• Synonyms: 2-[2-(2-methoxyphenoxy)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

Database IDs

• MDL Number: MFCD02676046
• PubChem SID: 164295943
• PubChem CID: 5063658

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4034774
• LogD (pH = 7.4): 2.4034774
• Log P: 2.4034774
• Molar Refractivity: 81.2269 cm^3
• Polarizability: 30.618301 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.02

Product Information

• Purity: 95%