(2-phenoxyethyl)benzene

• ChemBase ID: 294326
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: c1(OCCc2ccccc2)ccccc1
• Canonical SMILES: c1ccc(cc1)CCOc1ccccc1
• InChI: InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-10H,11-12H2
• InChIKey: JKSGBCQEHZWHHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenoxyethyl)benzene
• IUPAC Traditional name: (2-phenoxyethyl)benzene
• Synonyms: Phenethoxybenzene

Database IDs

• CAS Number: 40515-89-7
• PubChem SID: 180679857
• PubChem CID: 142465

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.828709
• LogD (pH = 7.4): 3.828709
• Log P: 3.828709
• Molar Refractivity: 61.8888 cm^3
• Polarizability: 24.262388 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%