methyl 2-(3,4-dimethoxyphenyl)acetate

• ChemBase ID: 248931
• Molecular Formular: C11H14O4
• Molecular Mass: 210.22646
• Monoisotopic Mass: 210.08920893
• SMILES: c1(c(ccc(c1)CC(=O)OC)OC)OC
• Canonical SMILES: COC(=O)Cc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C11H14O4/c1-13-9-5-4-8(6-10(9)14-2)7-11(12)15-3/h4-6H,7H2,1-3H3
• InChIKey: DILOFCBIBDMHAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(3,4-dimethoxyphenyl)acetate
• IUPAC Traditional name: methyl 2-(3,4-dimethoxyphenyl)acetate
• Synonyms: methyl 2-(3,4-dimethoxyphenyl)acetate

Database IDs

• CAS Number: 15964-79-1
• MDL Number: MFCD00017206
• PubChem SID: 164304841
• PubChem CID: 85213

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4415456
• LogD (pH = 7.4): 1.4415456
• Log P: 1.4415456
• Molar Refractivity: 55.0611 cm^3
• Polarizability: 21.672718 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.478

Product Information

• Purity: 95%; 95+%; 98%