4-(2-hydroxyethoxy)phenol

• ChemBase ID: 285087
• Molecular Formular: C8H10O3
• Molecular Mass: 154.1632
• Monoisotopic Mass: 154.06299418
• SMILES: c1(ccc(cc1)OCCO)O
• Canonical SMILES: OCCOc1ccc(cc1)O
• InChI: InChI=1S/C8H10O3/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,9-10H,5-6H2
• InChIKey: DPKWXRUINJHOOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-hydroxyethoxy)phenol
• IUPAC Traditional name: 4-(2-hydroxyethoxy)phenol
• Synonyms: 4-(2-hydroxyethoxy)phenol

Database IDs

• MDL Number: MFCD11181781
• PubChem SID: 180670618
• PubChem CID: 9834014

CALCULATED PROPERTIES

• Acid pKa: 9.922145
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8218909
• LogD (pH = 7.4): 0.8206112
• Log P: 0.8219072
• Molar Refractivity: 40.7944 cm^3
• Polarizability: 15.923278 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86 - 88°C
• Hydrophobicity(logP): 0.701

Product Information

• Purity: 95%