5,8-dimethoxy-1,4-dihydronaphthalene

• ChemBase ID: 167703
• Molecular Formular: C12H14O2
• Molecular Mass: 190.23836
• Monoisotopic Mass: 190.09937969
• SMILES: c1cc(c2c(c1OC)CC=CC2)OC
• Canonical SMILES: COc1ccc(c2c1CC=CC2)OC
• InChI: InChI=1S/C12H14O2/c1-13-11-7-8-12(14-2)10-6-4-3-5-9(10)11/h3-4,7-8H,5-6H2,1-2H3
• InChIKey: RSYYSWWHZPCDIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dimethoxy-1,4-dihydronaphthalene
• IUPAC Traditional name: 1,4-dimethoxy-5,8-dihydronaphthalene
• Synonyms: 1,4-Dihydro-5,8-dimethoxynaphthalene; 5,8-Dimethoxy-1,4-dihydronaphthalene; 5,8-Dihydro-1,4-dimethoxynaphthalene

Database IDs

• CAS Number: 55077-79-7
• PubChem SID: 162261836
• PubChem CID: 11788750

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.748236
• LogD (pH = 7.4): 2.748236
• Log P: 2.748236
• Molar Refractivity: 57.5832 cm^3
• Polarizability: 21.755644 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ether; Ethyl Acetate
• Apperance: Orange Oil