1-(4-methoxyphenyl)(2H6)propan-2-ol

• ChemBase ID: 173981
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1c(ccc(c1)CC(O)C)OC
• Canonical SMILES: COc1ccc(cc1)CC(O)C
• InChI: InChI=1S/C10H14O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8,11H,7H2,1-2H3
• InChIKey: TXIWFQCAXKAOBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)(^2H₆)propan-2-ol
• IUPAC Traditional name: 1-(4-methoxyphenyl)(^2H₆)propan-2-ol
• Synonyms: p-Methoxy-α-methyl-phenethyl Alcohol-d6; 1-(4-Methoxyphenyl)-2-propanol-d6; 1-(p-Methoxyphenyl)-2-propanol-d6; 2-Hydroxy-1-(4-methoxyphenyl)propane-d6; 2'-Hydroxy-p-propylanisole-d6; 4-Methoxy-α-methyl-benzeneethanol-d6

Database IDs

• PubChem SID: 164229891
• PubChem CID: 71750462

CALCULATED PROPERTIES

• Acid pKa: 15.579618
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.753461
• LogD (pH = 7.4): 1.753461
• Log P: 1.753461
• Molar Refractivity: 48.5109 cm^3
• Polarizability: 18.988773 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane
• Apperance: Colorless Liquid