(4-methoxy-2,3-dihydro-1H-inden-1-yl)methanol

• ChemBase ID: 247623
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: c12c(C(CC1)CO)cccc2OC
• Canonical SMILES: OCC1CCc2c1cccc2OC
• InChI: InChI=1S/C11H14O2/c1-13-11-4-2-3-9-8(7-12)5-6-10(9)11/h2-4,8,12H,5-7H2,1H3
• InChIKey: MPZFWIGHSJQCJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxy-2,3-dihydro-1H-inden-1-yl)methanol
• IUPAC Traditional name: (4-methoxy-2,3-dihydro-1H-inden-1-yl)methanol
• Synonyms: (4-methoxy-2,3-dihydro-1H-inden-1-yl)methanol

Database IDs

• MDL Number: MFCD17190478
• PubChem SID: 164303533
• PubChem CID: 71758265

CALCULATED PROPERTIES

• Acid pKa: 15.366326
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7515543
• LogD (pH = 7.4): 1.7515543
• Log P: 1.7515543
• Molar Refractivity: 51.8027 cm^3
• Polarizability: 19.943043 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.756

Product Information

• Purity: 95%