6-phenyl-1-benzofuran

• ChemBase ID: 245343
• Molecular Formular: C14H10O
• Molecular Mass: 194.2286
• Monoisotopic Mass: 194.07316494
• SMILES: c12cc(ccc2cco1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc2c(c1)occ2
• InChI: InChI=1S/C14H10O/c1-2-4-11(5-3-1)13-7-6-12-8-9-15-14(12)10-13/h1-10H
• InChIKey: CZOYEVWOIRECMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenyl-1-benzofuran
• IUPAC Traditional name: 6-phenyl-1-benzofuran
• Synonyms: 6-phenyl-1-benzofuran

Database IDs

• MDL Number: MFCD18451259
• PubChem SID: 164301253
• PubChem CID: 14296002

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7795947
• LogD (pH = 7.4): 3.7795947
• Log P: 3.7795947
• Molar Refractivity: 60.0353 cm^3
• Polarizability: 25.889774 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.59

Product Information

• Purity: 95%