1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-ol

• ChemBase ID: 245423
• Molecular Formular: C13H18O
• Molecular Mass: 190.28142
• Monoisotopic Mass: 190.1357652
• SMILES: c12c(C(CC1(C)C)(C)C)ccc(c2)O
• Canonical SMILES: Oc1ccc2c(c1)C(C)(C)CC2(C)C
• InChI: InChI=1S/C13H18O/c1-12(2)8-13(3,4)11-7-9(14)5-6-10(11)12/h5-7,14H,8H2,1-4H3
• InChIKey: OJCRKGPORQMMRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-ol
• IUPAC Traditional name: 1,1,3,3-tetramethyl-2H-inden-5-ol
• Synonyms: 1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-ol

Database IDs

• MDL Number: MFCD18970701
• PubChem SID: 164301333
• PubChem CID: 104567

CALCULATED PROPERTIES

• Acid pKa: 10.272652
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8514912
• LogD (pH = 7.4): 3.8509197
• Log P: 3.8514984
• Molar Refractivity: 58.9675 cm^3
• Polarizability: 22.95655 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 4.564

Product Information

• Purity: 95%