9-[2-(2-chloroethoxy)ethyl]carbazole

C16H16ClNO — CID 11807874

IUPAC9-[2-(2-chloroethoxy)ethyl]carbazole
SMILESClCCOCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H16ClNO/c17-9-11-19-12-10-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8H,9-12H2
InChIKeyKGTSBBGNWHVVNU-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.05
Rot. Bonds5

About 9-[2-(2-chloroethoxy)ethyl]carbazole

9-[2-(2-chloroethoxy)ethyl]carbazole (PubChem CID 11807874) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 9-[2-(2-chloroethoxy)ethyl]carbazole.

Molecular Properties

Compound Name9-[2-(2-chloroethoxy)ethyl]carbazole
PubChem CID11807874
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name9-[2-(2-chloroethoxy)ethyl]carbazole
SMILESClCCOCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H16ClNO/c17-9-11-19-12-10-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8H,9-12H2
InChIKeyKGTSBBGNWHVVNU-UHFFFAOYSA-N
XLogP4.05
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-chloroethoxy)ethyl]carbazole?
The IUPAC name of 9-[2-(2-chloroethoxy)ethyl]carbazole (CID 11807874) is 9-[2-(2-chloroethoxy)ethyl]carbazole.
What is the SMILES notation for 9-[2-(2-chloroethoxy)ethyl]carbazole?
The canonical SMILES for 9-[2-(2-chloroethoxy)ethyl]carbazole is ClCCOCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-(2-chloroethoxy)ethyl]carbazole?
The InChIKey is KGTSBBGNWHVVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-9-11-19-12-10-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8H,9-12H2.
What are the key properties of 9-[2-(2-chloroethoxy)ethyl]carbazole?
9-[2-(2-chloroethoxy)ethyl]carbazole has a molecular weight of 273.76 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-chloroethoxy)ethyl]carbazole is sourced from PubChem (CID 11807874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).