3,4-dimethyl-2,3-dihydro-1H-inden-1-ol

• ChemBase ID: 245612
• Molecular Formular: C11H14O
• Molecular Mass: 162.22826
• Monoisotopic Mass: 162.10446507
• SMILES: c12C(CC(c1cccc2C)O)C
• Canonical SMILES: CC1CC(c2c1c(C)ccc2)O
• InChI: InChI=1S/C11H14O/c1-7-4-3-5-9-10(12)6-8(2)11(7)9/h3-5,8,10,12H,6H2,1-2H3
• InChIKey: WIEMTFAKDUDBLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethyl-2,3-dihydro-1H-inden-1-ol
• IUPAC Traditional name: 3,4-dimethyl-2,3-dihydro-1H-inden-1-ol
• Synonyms: 3,4-dimethyl-2,3-dihydro-1H-inden-1-ol

Database IDs

• MDL Number: MFCD18892287
• PubChem SID: 164301522
• PubChem CID: 63823203

CALCULATED PROPERTIES

• Acid pKa: 14.484344
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5505607
• LogD (pH = 7.4): 2.5505607
• Log P: 2.5505607
• Molar Refractivity: 50.0445 cm^3
• Polarizability: 19.277895 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.536

Product Information

• Purity: 95%