(1R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

• ChemBase ID: 281818
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: c12c(ccc(c1)OC)CCC[C@H]2O
• Canonical SMILES: COc1ccc2c(c1)[C@H](O)CCC2
• InChI: InChI=1S/C11H14O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7,11-12H,2-4H2,1H3/t11-/m1/s1
• InChIKey: NKFNEIYWSQIOLY-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
• IUPAC Traditional name: (1R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
• Synonyms: (1R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

Database IDs

• MDL Number: MFCD14705978
• PubChem SID: 180667349
• PubChem CID: 11564555

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 14.424254
• 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: 20.015806 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.996

Product Information

• Purity: 95%