3-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalen-1-ol

• ChemBase ID: 201151
• Molecular Formular: C20H20O5
• Molecular Mass: 340.3698
• Monoisotopic Mass: 340.13107374
• SMILES: c12c(cc(c(c2)OC)OC)c(cc(c1)c1cc(c(cc1)OC)OC)O
• Canonical SMILES: COc1ccc(cc1OC)c1cc(O)c2c(c1)cc(c(c2)OC)OC
• InChI: InChI=1S/C20H20O5/c1-22-17-6-5-12(9-18(17)23-2)13-7-14-10-19(24-3)20(25-4)11-15(14)16(21)8-13/h5-11,21H,1-4H3
• InChIKey: ZXJFDCQXOXWZHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalen-1-ol
• IUPAC Traditional name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalen-1-ol

Database IDs

• PubChem SID: 164257061
• PubChem CID: 908752

CALCULATED PROPERTIES

• Acid pKa: 9.455495
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.6756496
• LogD (pH = 7.4): 3.6719165
• Log P: 3.6756976
• Molar Refractivity: 95.4781 cm^3
• Polarizability: 39.47914 Å^3
• Polar Surface Area: 57.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds