4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylmorpholine

• ChemBase ID: 865999
• Molecular Formular: C19H21NO3
• Molecular Mass: 311.37494
• Monoisotopic Mass: 311.15214354
• SMILES: N1(CC(OCC1)c1ccccc1)Cc1cc2c(OCCO2)cc1
• Canonical SMILES: c1ccc(cc1)C1OCCN(C1)Cc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C19H21NO3/c1-2-4-16(5-3-1)19-14-20(8-9-21-19)13-15-6-7-17-18(12-15)23-11-10-22-17/h1-7,12,19H,8-11,13-14H2
• InChIKey: OMILSLZUFXNPTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylmorpholine
• IUPAC Traditional name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylmorpholine
• Synonyms: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6907254
• LogD (pH = 7.4): 2.8995144
• Log P: 2.9935148
• Molar Refractivity: 88.9154 cm^3
• Polarizability: 34.920353 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.84
• LOG S: -2.89
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 3