2-methyl-1,2,3,4-tetrahydronaphthalen-2-ol

• ChemBase ID: 274845
• Molecular Formular: C11H14O
• Molecular Mass: 162.22826
• Monoisotopic Mass: 162.10446507
• SMILES: c12CC(CCc1cccc2)(O)C
• Canonical SMILES: CC1(O)CCc2c(C1)cccc2
• InChI: InChI=1S/C11H14O/c1-11(12)7-6-9-4-2-3-5-10(9)8-11/h2-5,12H,6-8H2,1H3
• InChIKey: DAFHDPGYEOOPFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
• IUPAC Traditional name: 2-methyl-3,4-dihydro-1H-naphthalen-2-ol
• Synonyms: 2-methyl-1,2,3,4-tetrahydronaphthalen-2-ol

Database IDs

• MDL Number: MFCD12152099
• PubChem SID: 164330755
• PubChem CID: 12522310

CALCULATED PROPERTIES

• Acid pKa: 14.938373
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.319358
• LogD (pH = 7.4): 2.319358
• Log P: 2.319358
• Molar Refractivity: 49.8479 cm^3
• Polarizability: 19.282768 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): 2.296

Product Information

• Purity: 95%