4-phenyl-1,2-dihydronaphthalene

• ChemBase ID: 112585
• Molecular Formular: C16H14
• Molecular Mass: 206.28236
• Monoisotopic Mass: 206.10955045
• SMILES: C1Cc2ccccc2C(=C1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C1=CCCc2c1cccc2
• InChI: InChI=1S/C16H14/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-5,7-9,11-12H,6,10H2
• InChIKey: JKTVTLYXBAHXCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-1,2-dihydronaphthalene
• IUPAC Traditional name: 1-phenyl-3,4-dihydronaphthalene
• Synonyms: 1-PHENYL DIALIN

Database IDs

• CAS Number: 7469-40-1
• PubChem SID: 162098307
• PubChem CID: 24054

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.579477
• LogD (pH = 7.4): 4.579477
• Log P: 4.579477
• Molar Refractivity: 78.2095 cm^3
• Polarizability: 26.442373 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224738

MP Biomedicals Rare Chemical collection