ethyl 2-[3-methoxy-4-(propan-2-yloxy)phenyl]acetate

• ChemBase ID: 289883
• Molecular Formular: C14H20O4
• Molecular Mass: 252.3062
• Monoisotopic Mass: 252.13615912
• SMILES: O=C(OCC)Cc1ccc(OC(C)C)c(OC)c1
• Canonical SMILES: CCOC(=O)Cc1ccc(c(c1)OC)OC(C)C
• InChI: InChI=1S/C14H20O4/c1-5-17-14(15)9-11-6-7-12(18-10(2)3)13(8-11)16-4/h6-8,10H,5,9H2,1-4H3
• InChIKey: GIUFMFBEWZVERI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[3-methoxy-4-(propan-2-yloxy)phenyl]acetate
• IUPAC Traditional name: ethyl 2-(4-isopropoxy-3-methoxyphenyl)acetate
• Synonyms: Ethyl 2-(4-isopropoxy-3-methoxyphenyl)acetate

Database IDs

• CAS Number: 1256581-66-4
• PubChem SID: 180675414
• PubChem CID: 58438018

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5717366
• LogD (pH = 7.4): 2.5717366
• Log P: 2.5717366
• Molar Refractivity: 68.9771 cm^3
• Polarizability: 27.180948 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%