methyl 2-(4-formyl-2-methoxyphenoxy)acetate

• ChemBase ID: 119971
• Molecular Formular: C11H12O5
• Molecular Mass: 224.20998
• Monoisotopic Mass: 224.06847348
• SMILES: c1(c(OCC(=O)OC)ccc(c1)C=O)OC
• Canonical SMILES: COC(=O)COc1ccc(cc1OC)C=O
• InChI: InChI=1S/C11H12O5/c1-14-10-5-8(6-12)3-4-9(10)16-7-11(13)15-2/h3-6H,7H2,1-2H3
• InChIKey: XBLWXYZXSFHFGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(4-formyl-2-methoxyphenoxy)acetate
• IUPAC Traditional name: methyl 2-(4-formyl-2-methoxyphenoxy)acetate
• Synonyms: methyl 2-(4-formyl-2-methoxyphenoxy)acetate; methyl (4-formyl-2-methoxyphenoxy)acetate

Database IDs

• CAS Number: 79317-30-9
• MDL Number: MFCD02611652
• PubChem SID: 162108235
• PubChem CID: 882523

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.994283
• LogD (pH = 7.4): 0.994283
• Log P: 0.994283
• Molar Refractivity: 56.4221 cm^3
• Polarizability: 21.777287 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true