1,2,4,5-tetramethoxybenzene

• ChemBase ID: 15955
• Molecular Formular: C10H14O4
• Molecular Mass: 198.21576
• Monoisotopic Mass: 198.08920893
• SMILES: c1(c(cc(c(c1)OC)OC)OC)OC
• Canonical SMILES: COc1cc(OC)c(cc1OC)OC
• InChI: InChI=1S/C10H14O4/c1-11-7-5-9(13-3)10(14-4)6-8(7)12-2/h5-6H,1-4H3
• InChIKey: JUVJUCAKSWHQEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4,5-tetramethoxybenzene
• IUPAC Traditional name: 1,2,4,5-tetramethoxybenzene
• Synonyms: 1,2,4,5-Tetramethoxybenzene

Database IDs

• CAS Number: 2441-46-5
• MDL Number: MFCD00094450
• PubChem SID: 160979262
• PubChem CID: 97686

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3425608
• LogD (pH = 7.4): 1.3425608
• Log P: 1.3425608
• Molar Refractivity: 51.9108 cm^3
• Polarizability: 20.424145 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%