5,6,7,8-tetrahydronaphthalen-1-ylmethanol

• ChemBase ID: 290029
• Molecular Formular: C11H14O
• Molecular Mass: 162.22826
• Monoisotopic Mass: 162.10446507
• SMILES: OCc1c2CCCCc2ccc1
• Canonical SMILES: OCc1cccc2c1CCCC2
• InChI: InChI=1S/C11H14O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h3,5-6,12H,1-2,4,7-8H2
• InChIKey: QLXUVXUSWPMMLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydronaphthalen-1-ylmethanol
• IUPAC Traditional name: 5,6,7,8-tetrahydronaphthalen-1-ylmethanol
• Synonyms: (5,6,7,8-Tetrahydronaphthalen-1-yl)methanol

Database IDs

• CAS Number: 41790-30-1
• MDL Number: MFCD16037293
• PubChem SID: 180675560
• PubChem CID: 15562329

CALCULATED PROPERTIES

• Acid pKa: 15.05001
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6581502
• LogD (pH = 7.4): 2.6581502
• Log P: 2.6581502
• Molar Refractivity: 50.3561 cm^3
• Polarizability: 19.278332 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%