4-phenyl-2,3-dihydro-1H-indole

• ChemBase ID: 242332
• Molecular Formular: C14H13N
• Molecular Mass: 195.25972
• Monoisotopic Mass: 195.10479942
• SMILES: c12c(c3ccccc3)cccc1NCC2
• Canonical SMILES: c1ccc(cc1)c1cccc2c1CCN2
• InChI: InChI=1S/C14H13N/c1-2-5-11(6-3-1)12-7-4-8-14-13(12)9-10-15-14/h1-8,15H,9-10H2
• InChIKey: LYOLFBFLUVRUCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-2,3-dihydro-1H-indole
• IUPAC Traditional name: 4-phenyl-2,3-dihydro-1H-indole
• Synonyms: 4-phenyl-2,3-dihydro-1H-indole

Database IDs

• MDL Number: MFCD20483510
• PubChem SID: 164298242
• PubChem CID: 15838064

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0974457
• LogD (pH = 7.4): 3.1326697
• Log P: 3.1331377
• Molar Refractivity: 64.6976 cm^3
• Polarizability: 25.448128 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.664

Product Information

• Purity: 95%