6,7-dimethoxy-3-(4-methoxyphenyl)naphthalen-1-ol

• ChemBase ID: 199257
• Molecular Formular: C19H18O4
• Molecular Mass: 310.34382
• Monoisotopic Mass: 310.12050906
• SMILES: c12c(cc(c(c2)OC)OC)c(cc(c1)c1ccc(cc1)OC)O
• Canonical SMILES: COc1ccc(cc1)c1cc(O)c2c(c1)cc(c(c2)OC)OC
• InChI: InChI=1S/C19H18O4/c1-21-15-6-4-12(5-7-15)13-8-14-10-18(22-2)19(23-3)11-16(14)17(20)9-13/h4-11,20H,1-3H3
• InChIKey: FXJRFYSQDTZBAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-3-(4-methoxyphenyl)naphthalen-1-ol
• IUPAC Traditional name: 6,7-dimethoxy-3-(4-methoxyphenyl)naphthalen-1-ol

Database IDs

• PubChem SID: 164255167
• PubChem CID: 908025

CALCULATED PROPERTIES

• Acid pKa: 9.464673
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.833322
• LogD (pH = 7.4): 3.8296664
• Log P: 3.8333688
• Molar Refractivity: 89.0149 cm^3
• Polarizability: 36.99273 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds