4-(1-hydroxyethyl)phenol

• ChemBase ID: 273251
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: c1(ccc(cc1)O)C(O)C
• Canonical SMILES: Oc1ccc(cc1)C(O)C
• InChI: InChI=1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3
• InChIKey: PMRFBLQVGJNGLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-hydroxyethyl)phenol
• IUPAC Traditional name: 1-(4'-hydroxyphenyl)ethanol
• Synonyms: 4-(1-hydroxyethyl)phenol

Database IDs

• CAS Number: 2380-91-8
• MDL Number: MFCD00016858
• PubChem SID: 164329161
• PubChem CID: 102803

CALCULATED PROPERTIES

• Acid pKa: 9.47293
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3188598
• LogD (pH = 7.4): 1.315271
• Log P: 1.3189057
• Molar Refractivity: 39.2736 cm^3
• Polarizability: 15.225737 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Hydrophobicity(logP): 0.746

Product Information

• Purity: 95%; 95+%