3-(2-hydroxyethoxy)phenol

• ChemBase ID: 110968
• Molecular Formular: C8H10O3
• Molecular Mass: 154.1632
• Monoisotopic Mass: 154.06299418
• SMILES: OCCOc1cc(O)ccc1
• Canonical SMILES: OCCOc1cccc(c1)O
• InChI: InChI=1S/C8H10O3/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6,9-10H,4-5H2
• InChIKey: KKOWMCYVIXBCGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-hydroxyethoxy)phenol
• IUPAC Traditional name: 3-(2-hydroxyethoxy)phenol
• Synonyms: RESORCINOL MONOHYDROXYETHYL ETHER

Database IDs

• CAS Number: 49650-88-6
• PubChem SID: 162096508
• PubChem CID: 152273

CALCULATED PROPERTIES

• Acid pKa: 9.482664
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8218623
• LogD (pH = 7.4): 0.81835365
• Log P: 0.8219072
• Molar Refractivity: 40.7944 cm^3
• Polarizability: 15.9241905 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217247

MP Biomedicals Rare Chemical collection