7-methoxy-2,3-dihydro-1H-inden-4-ol

• ChemBase ID: 75301
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: Oc1c2c(c(cc1)OC)CCC2
• Canonical SMILES: COc1ccc(c2c1CCC2)O
• InChI: InChI=1S/C10H12O2/c1-12-10-6-5-9(11)7-3-2-4-8(7)10/h5-6,11H,2-4H2,1H3
• InChIKey: MUYRQNYFMUEYKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-2,3-dihydro-1H-inden-4-ol
• IUPAC Traditional name: 7-methoxy-2,3-dihydro-1H-inden-4-ol
• Synonyms: 4-Hydroxy-7-methoxyindane

Database IDs

• CAS Number: 38998-04-8
• MDL Number: MFCD04038952
• PubChem SID: 162040219
• PubChem CID: 20609156

CALCULATED PROPERTIES

• Acid pKa: 10.326088
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5196884
• LogD (pH = 7.4): 2.519183
• Log P: 2.5196948
• Molar Refractivity: 47.3833 cm^3
• Polarizability: 18.088448 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful