methyl 2,4-dimethoxy-6-methylbenzoate

• ChemBase ID: 302164
• Molecular Formular: C11H14O4
• Molecular Mass: 210.22646
• Monoisotopic Mass: 210.08920893
• SMILES: Cc1cc(cc(c1C(=O)OC)OC)OC
• Canonical SMILES: COc1cc(C)c(c(c1)OC)C(=O)OC
• InChI: InChI=1S/C11H14O4/c1-7-5-8(13-2)6-9(14-3)10(7)11(12)15-4/h5-6H,1-4H3
• InChIKey: QCEODMDPMRZZDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2,4-dimethoxy-6-methylbenzoate
• IUPAC Traditional name: methyl 2,4-dimethoxy-6-methylbenzoate
• Synonyms: 2,4-Dimethoxy-6-methylbenzoic acid methyl ester; Methyl 2,4-dimethoxy-6-methylbenzoate; 2,4-二甲氧基-6-甲基苯甲酸甲酯

Database IDs

• CAS Number: 6110-37-8
• MDL Number: MFCD00082782
• Beilstein Number: 1372278

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1748016
• LogD (pH = 7.4): 2.1748016
• Log P: 2.1748016
• Molar Refractivity: 56.0509 cm^3
• Polarizability: 21.575174 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48-50°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%