2-[2-(3-hydroxyphenyl)phenoxy]propanamide

• ChemBase ID: 723652
• Molecular Formular: C15H15NO3
• Molecular Mass: 257.2845
• Monoisotopic Mass: 257.10519335
• SMILES: c1(OC(C(=O)N)C)c(c2cc(O)ccc2)cccc1
• Canonical SMILES: Oc1cccc(c1)c1ccccc1OC(C(=O)N)C
• InChI: InChI=1S/C15H15NO3/c1-10(15(16)18)19-14-8-3-2-7-13(14)11-5-4-6-12(17)9-11/h2-10,17H,1H3,(H2,16,18)
• InChIKey: YNTOCEMXDSUGFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3-hydroxyphenyl)phenoxy]propanamide
• IUPAC Traditional name: 2-[2-(3-hydroxyphenyl)phenoxy]propanamide
• Synonyms: 2-[(3'-hydroxybiphenyl-2-yl)oxy]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.760621
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.399016
• LogD (pH = 7.4): 2.397162
• Log P: 2.3990395
• Molar Refractivity: 72.039 cm^3
• Polarizability: 29.296227 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.56
• LOG S: -1.83
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 4