methyl 3-(4-methoxyphenoxy)propanoate

• ChemBase ID: 275895
• Molecular Formular: C11H14O4
• Molecular Mass: 210.22646
• Monoisotopic Mass: 210.08920893
• SMILES: C(=O)(CCOc1ccc(cc1)OC)OC
• Canonical SMILES: COC(=O)CCOc1ccc(cc1)OC
• InChI: InChI=1S/C11H14O4/c1-13-9-3-5-10(6-4-9)15-8-7-11(12)14-2/h3-6H,7-8H2,1-2H3
• InChIKey: AKBHVBLEQNXNQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(4-methoxyphenoxy)propanoate
• IUPAC Traditional name: methyl 3-(4-methoxyphenoxy)propanoate
• Synonyms: methyl 3-(4-methoxyphenoxy)propanoate

Database IDs

• MDL Number: MFCD10694158
• PubChem SID: 164331805
• PubChem CID: 43082932

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5187933
• LogD (pH = 7.4): 1.5187933
• Log P: 1.5187933
• Molar Refractivity: 54.5375 cm^3
• Polarizability: 21.674166 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.174

Product Information

• Purity: 95%