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

• ChemBase ID: 811984
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: c1cc2c(cc1OC)CCC(C2)O
• Canonical SMILES: COc1ccc2c(c1)CCC(C2)O
• InChI: InChI=1S/C11H14O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7,10,12H,2,4,6H2,1H3
• InChIKey: HQYTZERMKCBGHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1447-87-6

CALCULATED PROPERTIES

• Acid pKa: 15.164979
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8811102
• LogD (pH = 7.4): 1.8811102
• Log P: 1.8811102
• Molar Refractivity: 51.6729 cm^3
• Polarizability: 19.942327 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%