9-(1-ethoxybutyl)-9H-carbazole

• ChemBase ID: 203675
• Molecular Formular: C18H21NO
• Molecular Mass: 267.36544
• Monoisotopic Mass: 267.1623143
• SMILES: n1(c2c(c3c1cccc3)cccc2)C(OCC)CCC
• Canonical SMILES: CCCC(n1c2ccccc2c2c1cccc2)OCC
• InChI: InChI=1S/C18H21NO/c1-3-9-18(20-4-2)19-16-12-7-5-10-14(16)15-11-6-8-13-17(15)19/h5-8,10-13,18H,3-4,9H2,1-2H3
• InChIKey: AFYLKJCOOPNFOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(1-ethoxybutyl)-9H-carbazole
• IUPAC Traditional name: 9-(1-ethoxybutyl)carbazole

Database IDs

• PubChem SID: 164259585
• PubChem CID: 4292921

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0454698
• LogD (pH = 7.4): 5.0454698
• Log P: 5.0454698
• Molar Refractivity: 82.8826 cm^3
• Polarizability: 34.97229 Å^3
• Polar Surface Area: 14.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds