2,3-dihydro-1H-inden-5-ylmethanol

• ChemBase ID: 284868
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: c12c(ccc(c1)CO)CCC2
• Canonical SMILES: OCc1ccc2c(c1)CCC2
• InChI: InChI=1S/C10H12O/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-6,11H,1-3,7H2
• InChIKey: SJKGAFDWIVOCSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD04038655
• PubChem SID: 180670399
• PubChem CID: 330183

CALCULATED PROPERTIES

• Acid pKa: 15.078761
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2135816
• LogD (pH = 7.4): 2.2135816
• Log P: 2.2135816
• Molar Refractivity: 45.7551 cm^3
• Polarizability: 17.432276 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 2.117

Product Information

• Purity: 95%