2,5-dimethoxyphenol

• ChemBase ID: 70642
• Molecular Formular: C8H10O3
• Molecular Mass: 154.1632
• Monoisotopic Mass: 154.06299418
• SMILES: c1(c(ccc(c1)OC)OC)O
• Canonical SMILES: COc1ccc(c(c1)O)OC
• InChI: InChI=1S/C8H10O3/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,9H,1-2H3
• InChIKey: KYFBKHRLIHDKPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethoxyphenol
• IUPAC Traditional name: 2,5-dimethoxyphenol
• Synonyms: 2,5-Dimethoxyphenol

Database IDs

• CAS Number: 18113-18-3
• MDL Number: MFCD00094237
• PubChem SID: 162036357
• PubChem CID: 5314498

CALCULATED PROPERTIES

• Acid pKa: 9.883974
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3543202
• LogD (pH = 7.4): 1.3529252
• Log P: 1.3543379
• Molar Refractivity: 40.9653 cm^3
• Polarizability: 15.979854 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%