5-methoxy-2,3-dihydro-1H-indole

• ChemBase ID: 265802
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c12c(cc(cc2)OC)CCN1
• Canonical SMILES: COc1ccc2c(c1)CCN2
• InChI: InChI=1S/C9H11NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3
• InChIKey: YYDYAQAVAHKFJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2,3-dihydro-1H-indole
• IUPAC Traditional name: 5-methoxy-2,3-dihydro-1H-indole
• Synonyms: 5-methoxy-2,3-dihydro-1H-indole; 5-Methoxyindoline

Database IDs

• CAS Number: 21857-45-4
• MDL Number: MFCD07368037
• PubChem SID: 164321712
• PubChem CID: 10701974

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.935367
• LogD (pH = 7.4): 1.32024
• Log P: 1.3282412
• Molar Refractivity: 46.0246 cm^3
• Polarizability: 16.859484 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.879

Product Information

• Purity: 95%; 95+%