2,3-dihydro-1H-inden-1-ylmethanol

• ChemBase ID: 272148
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: c12c(CCC1CO)cccc2
• Canonical SMILES: OCC1CCc2c1cccc2
• InChI: InChI=1S/C10H12O/c11-7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9,11H,5-7H2
• InChIKey: GJZQCDPVYVQVBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18089511
• PubChem SID: 164328058
• PubChem CID: 271880

CALCULATED PROPERTIES

• Acid pKa: 15.383783
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9092256
• LogD (pH = 7.4): 1.9092256
• Log P: 1.9092256
• Molar Refractivity: 45.3395 cm^3
• Polarizability: 17.436523 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.837

Product Information

• Purity: 95%