2-(2H3)methoxyphenol

• ChemBase ID: 173091
• Molecular Formular: C7H8O2
• Molecular Mass: 124.13722
• Monoisotopic Mass: 124.0524295
• SMILES: c1ccc(c(c1)OC)O
• Canonical SMILES: COc1ccccc1O
• InChI: InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
• InChIKey: LHGVFZTZFXWLCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(^2H₃)methoxyphenol
• IUPAC Traditional name: 2-(^2H₃)methoxyphenol
• Synonyms: o-(Methoxy-d3)-phenol; 1-Hydroxy-2-(methoxy-d3)-benzene; 2-Hydroxyanisole-d3; Anastil-d3; Guaiacol-d3; Guaiastil-d3; Methylcatechol-d3; o-Hydroxyanisole-d3; O-Methoxyphenol-d3; NSC 3815-d3; 2-Methoxyphenol-d3

Database IDs

• CAS Number: 74495-69-5
• PubChem SID: 164229001
• PubChem CID: 12213392

CALCULATED PROPERTIES

• Acid pKa: 9.977541
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5119948
• LogD (pH = 7.4): 1.5108694
• Log P: 1.5120093
• Molar Refractivity: 34.5021 cm^3
• Polarizability: 13.450347 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Yellow to Orange Oil

Safety Information

• Storage Condition: Refrigerator