2,3,6,7-tetramethoxynaphthalene

• ChemBase ID: 15953
• Molecular Formular: C14H16O4
• Molecular Mass: 248.27444
• Monoisotopic Mass: 248.10485899
• SMILES: c1c(c(cc2cc(c(cc12)OC)OC)OC)OC
• Canonical SMILES: COc1cc2cc(OC)c(cc2cc1OC)OC
• InChI: InChI=1S/C14H16O4/c1-15-11-5-9-7-13(17-3)14(18-4)8-10(9)6-12(11)16-2/h5-8H,1-4H3
• InChIKey: SHRMNWAPYJYUHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,6,7-tetramethoxynaphthalene
• IUPAC Traditional name: 2,3,6,7-tetramethoxynaphthalene
• Synonyms: 2,3,6,7-Tetamethoxynaphthalene

Database IDs

• CAS Number: 33033-33-9
• MDL Number: MFCD06656521
• PubChem SID: 160979260
• PubChem CID: 23334491

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3320374
• LogD (pH = 7.4): 2.3320374
• Log P: 2.3320374
• Molar Refractivity: 68.361 cm^3
• Polarizability: 27.899094 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%