(1R)-6-methoxy-2,3-dihydro-1H-inden-1-ol

• ChemBase ID: 245437
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: c12c(CC[C@H]2O)ccc(c1)OC
• Canonical SMILES: COc1ccc2c(c1)[C@H](O)CC2
• InChI: InChI=1S/C10H12O2/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h2,4,6,10-11H,3,5H2,1H3/t10-/m1/s1
• InChIKey: IAVGAIAOOXUVAD-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-6-methoxy-2,3-dihydro-1H-inden-1-ol
• IUPAC Traditional name: (1R)-6-methoxy-2,3-dihydro-1H-inden-1-ol
• Synonyms: (1R)-6-methoxy-2,3-dihydro-1H-inden-1-ol

Database IDs

• MDL Number: MFCD15529781
• PubChem SID: 164301347
• PubChem CID: 28293920

CALCULATED PROPERTIES

• Acid pKa: 14.412152
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5924491
• LogD (pH = 7.4): 1.592449
• Log P: 1.5924491
• Molar Refractivity: 46.9179 cm^3
• Polarizability: 18.17359 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.437

Product Information

• Purity: 95%