7-(diphenylmethoxy)-2,3-dihydro-1H-indole

• ChemBase ID: 63654
• Molecular Formular: C21H19NO
• Molecular Mass: 301.38166
• Monoisotopic Mass: 301.14666423
• SMILES: c1(C(c2ccccc2)Oc2c3NCCc3ccc2)ccccc1
• Canonical SMILES: c1ccc(cc1)C(c1ccccc1)Oc1cccc2c1NCC2
• InChI: InChI=1S/C21H19NO/c1-3-8-17(9-4-1)21(18-10-5-2-6-11-18)23-19-13-7-12-16-14-15-22-20(16)19/h1-13,21-22H,14-15H2
• InChIKey: OOZKDCMUSIGDTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(diphenylmethoxy)-2,3-dihydro-1H-indole
• IUPAC Traditional name: 7-(diphenylmethoxy)-2,3-dihydro-1H-indole
• Synonyms: 7-(Benzhydryloxy)-1H-indole

Database IDs

• CAS Number: 135328-49-3
• MDL Number: MFCD07644633
• PubChem SID: 162029393
• PubChem CID: 66521713

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.7380986
• LogD (pH = 7.4): 4.8355584
• Log P: 4.8369546
• Molar Refractivity: 94.92 cm^3
• Polarizability: 36.105175 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%