6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

• ChemBase ID: 256108
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: c12c(cc(cc1)OC)CCCC2O
• Canonical SMILES: COc1ccc2c(c1)CCCC2O
• InChI: InChI=1S/C11H14O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7,11-12H,2-4H2,1H3
• InChIKey: IVSJZMUJOFGIOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
• IUPAC Traditional name: 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
• Synonyms: 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

Database IDs

• MDL Number: MFCD08443487
• PubChem SID: 164312018
• PubChem CID: 11052211

CALCULATED PROPERTIES

• Acid pKa: 14.494245
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0370176
• LogD (pH = 7.4): 2.0370176
• Log P: 2.0370176
• Molar Refractivity: 51.5189 cm^3
• Polarizability: 20.016432 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.996

Product Information

• Purity: 95%