4-(ethoxymethyl)phenol

• ChemBase ID: 291862
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: CCOCc1ccc(O)cc1
• Canonical SMILES: CCOCc1ccc(cc1)O
• InChI: InChI=1S/C9H12O2/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,10H,2,7H2,1H3
• InChIKey: UWQZVUQKBWZNLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(ethoxymethyl)phenol
• IUPAC Traditional name: 4-(ethoxymethyl)phenol
• Synonyms: 4-(Ethoxymethyl)phenol; 4-(Ethoxymethyl)phenol

Database IDs

• CAS Number: 57726-26-8
• MDL Number: MFCD00464284
• PubChem SID: 180677393
• PubChem CID: 93781

CALCULATED PROPERTIES

• Acid pKa: 9.476077
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9022195
• LogD (pH = 7.4): 1.8986565
• Log P: 1.9022652
• Molar Refractivity: 44.3546 cm^3
• Polarizability: 17.141027 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Product Information

• Purity: 95+%; 98.5