(1-phenylpentyl)benzene

• ChemBase ID: 295886
• Molecular Formular: C17H20
• Molecular Mass: 224.3407
• Monoisotopic Mass: 224.15650064
• SMILES: CCCCC(c1ccccc1)c1ccccc1
• Canonical SMILES: CCCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H20/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
• InChIKey: GSGNVNZDHCKRGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylpentyl)benzene
• IUPAC Traditional name: (1-phenylpentyl)benzene
• Synonyms: 1,1-Diphenylpentane; 1,1-联苯基戊烷

Database IDs

• CAS Number: 1726-12-1
• MDL Number: MFCD00041692
• PubChem SID: 180681417
• PubChem CID: 137174

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.685765
• LogD (pH = 7.4): 5.685765
• Log P: 5.685765
• Molar Refractivity: 74.1468 cm^3
• Polarizability: 29.194319 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 138-139°C/15mm

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%