2-(2,3-dihydro-1-benzofuran-5-yl)(2H4)ethan-1-ol

• ChemBase ID: 167531
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: c1c2c(ccc1CCO)OCC2
• Canonical SMILES: OCCc1ccc2c(c1)CCO2
• InChI: InChI=1S/C10H12O2/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7,11H,3-6H2
• InChIKey: IPSIYKHOHYJGMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1-benzofuran-5-yl)(^2H₄)ethan-1-ol
• IUPAC Traditional name: 2-(2,3-dihydro-1-benzofuran-5-yl)(^2H₄)ethanol
• Synonyms: 2-(2,3-Dihydrobenzofuran-5-yl)ethanol; 5-(2-Hydroxyethyl)-2,3-dihydrobenzofuran; 2,3-Dihydro-5-benzofuranethanol-d4

Database IDs

• CAS Number: 1185079-36-0
• PubChem SID: 162261664
• PubChem CID: 46781300

CALCULATED PROPERTIES

• Acid pKa: 15.908909
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3767745
• LogD (pH = 7.4): 1.3767745
• Log P: 1.3767745
• Molar Refractivity: 47.4017 cm^3
• Polarizability: 18.179193 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: White Solid