1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-(morpholin-4-yl)ethan-1-ol

• ChemBase ID: 719073
• Molecular Formular: C20H23NO3
• Molecular Mass: 325.40152
• Monoisotopic Mass: 325.1677936
• SMILES: c1(cc2c(OCC2)cc1)c1ccc(C(CN2CCOCC2)O)cc1
• Canonical SMILES: OC(c1ccc(cc1)c1ccc2c(c1)CCO2)CN1CCOCC1
• InChI: InChI=1S/C20H23NO3/c22-19(14-21-8-11-23-12-9-21)16-3-1-15(2-4-16)17-5-6-20-18(13-17)7-10-24-20/h1-6,13,19,22H,7-12,14H2
• InChIKey: BSJYSHGNPHFBCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-(morpholin-4-yl)ethan-1-ol
• IUPAC Traditional name: 1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-(morpholin-4-yl)ethanol
• Synonyms: 1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-morpholin-4-ylethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.096871
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2152678
• LogD (pH = 7.4): 2.4841619
• Log P: 2.59525
• Molar Refractivity: 94.5467 cm^3
• Polarizability: 37.997494 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.11
• LOG S: -3.22
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 4