3-(1-benzyl-1H-indol-3-yl)propan-1-ol

• ChemBase ID: 310566
• Molecular Formular: C18H19NO
• Molecular Mass: 265.34956
• Monoisotopic Mass: 265.14666423
• SMILES: n1(cc(c2c1cccc2)CCCO)Cc1ccccc1
• Canonical SMILES: OCCCc1cn(c2c1cccc2)Cc1ccccc1
• InChI: InChI=1S/C18H19NO/c20-12-6-9-16-14-19(13-15-7-2-1-3-8-15)18-11-5-4-10-17(16)18/h1-5,7-8,10-11,14,20H,6,9,12-13H2
• InChIKey: DTPQJRUTRYGKPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-benzyl-1H-indol-3-yl)propan-1-ol
• IUPAC Traditional name: 3-(1-benzylindol-3-yl)propan-1-ol
• Synonyms: 3-(1-benzyl-1H-indol-3-yl)propan-1-ol

Database IDs

• CAS Number: 29957-93-5
• MDL Number: MFCD00426555

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.986037
• LogD (pH = 7.4): 3.986037
• Log P: 3.986037
• Molar Refractivity: 82.8257 cm^3
• Polarizability: 33.057205 Å^3
• Polar Surface Area: 25.16 Å^2