methyl 5-(4-formyl-2-methoxyphenoxymethyl)furan-2-carboxylate

• ChemBase ID: 233992
• Molecular Formular: C15H14O6
• Molecular Mass: 290.26806
• Monoisotopic Mass: 290.07903817
• SMILES: c1(oc(cc1)COc1c(cc(C=O)cc1)OC)C(=O)OC
• Canonical SMILES: O=Cc1ccc(c(c1)OC)OCc1ccc(o1)C(=O)OC
• InChI: InChI=1S/C15H14O6/c1-18-14-7-10(8-16)3-5-12(14)20-9-11-4-6-13(21-11)15(17)19-2/h3-8H,9H2,1-2H3
• InChIKey: ZSVNXMACJMHFDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-(4-formyl-2-methoxyphenoxymethyl)furan-2-carboxylate
• IUPAC Traditional name: methyl 5-(4-formyl-2-methoxyphenoxymethyl)furan-2-carboxylate
• Synonyms: methyl 5-[(4-formyl-2-methoxyphenoxy)methyl]-2-furoate

Database IDs

• CAS Number: 332165-50-1
• MDL Number: MFCD01893200
• PubChem SID: 164289902
• PubChem CID: 738499

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0786035
• LogD (pH = 7.4): 2.0786035
• Log P: 2.0786035
• Molar Refractivity: 74.4747 cm^3
• Polarizability: 28.224016 Å^3
• Polar Surface Area: 74.97 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.363

Product Information

• Purity: 95%