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

• ChemBase ID: 244502
• Molecular Formular: C13H18O
• Molecular Mass: 190.28142
• Monoisotopic Mass: 190.1357652
• SMILES: c12cc(ccc1CCC[C@H]2O)C(C)C
• Canonical SMILES: O[C@@H]1CCCc2c1cc(cc2)C(C)C
• InChI: InChI=1S/C13H18O/c1-9(2)11-7-6-10-4-3-5-13(14)12(10)8-11/h6-9,13-14H,3-5H2,1-2H3/t13-/m1/s1
• InChIKey: MMIFFKJOSAREFC-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21297852
• PubChem SID: 164300412
• PubChem CID: 28293874

CALCULATED PROPERTIES

• Log P: 3.4396982
• Molar Refractivity: 59.2465 cm^3
• Polarizability: 22.96889 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.500963
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4396982
• LogD (pH = 7.4): 3.439698

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 3.504

Product Information

• Purity: 95%