6-chloro-5-ethoxy-2,3-dihydro-1H-indole

• ChemBase ID: 245148
• Molecular Formular: C10H12ClNO
• Molecular Mass: 197.66138
• Monoisotopic Mass: 197.06074169
• SMILES: c12cc(c(cc1CCN2)OCC)Cl
• Canonical SMILES: CCOc1cc2CCNc2cc1Cl
• InChI: InChI=1S/C10H12ClNO/c1-2-13-10-5-7-3-4-12-9(7)6-8(10)11/h5-6,12H,2-4H2,1H3
• InChIKey: DHBDMFZRBMAUTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-ethoxy-2,3-dihydro-1H-indole
• IUPAC Traditional name: 6-chloro-5-ethoxy-2,3-dihydro-1H-indole
• Synonyms: 6-chloro-5-ethoxy-2,3-dihydro-1H-indole

Database IDs

• MDL Number: MFCD20681722
• PubChem SID: 164301058
• PubChem CID: 71757656

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1103895
• LogD (pH = 7.4): 2.2863157
• Log P: 2.2890937
• Molar Refractivity: 55.578 cm^3
• Polarizability: 20.590418 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.116

Product Information

• Purity: 95%