1-methyl-2,3-dihydro-1H-inden-2-ol

• ChemBase ID: 235748
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: c12C(C(Cc1cccc2)O)C
• Canonical SMILES: CC1C(O)Cc2c1cccc2
• InChI: InChI=1S/C10H12O/c1-7-9-5-3-2-4-8(9)6-10(7)11/h2-5,7,10-11H,6H2,1H3
• InChIKey: FNQQSDCQOLMENF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22196443
• PubChem SID: 164291658
• PubChem CID: 12522298

CALCULATED PROPERTIES

• Acid pKa: 14.737249
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9591856
• LogD (pH = 7.4): 1.9591856
• Log P: 1.9591856
• Molar Refractivity: 45.0803 cm^3
• Polarizability: 17.434837 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.737

Product Information

• Purity: 95%