2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,3-dimethylnaphthalene

• ChemBase ID: 181470
• Molecular Formular: C22H24O4
• Molecular Mass: 352.42356
• Monoisotopic Mass: 352.16745925
• SMILES: c1(c2c(cc(c1c1cc(c(cc1)OC)OC)C)cc(c(c2)OC)OC)C
• Canonical SMILES: COc1ccc(cc1OC)c1c(C)cc2c(c1C)cc(c(c2)OC)OC
• InChI: InChI=1S/C22H24O4/c1-13-9-16-11-20(25-5)21(26-6)12-17(16)14(2)22(13)15-7-8-18(23-3)19(10-15)24-4/h7-12H,1-6H3
• InChIKey: ZUWNIMGEVHPARP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,3-dimethylnaphthalene
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,3-dimethylnaphthalene

Database IDs

• PubChem SID: 164237380
• PubChem CID: 1761588

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.0061054
• LogD (pH = 7.4): 5.0061054
• Log P: 5.0061054
• Molar Refractivity: 103.5796 cm^3
• Polarizability: 42.442272 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds