2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol

C18H21NO3 — CID 658559

IUPAC2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol
SMILESOCCOCCOCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H21NO3/c20-10-12-22-14-13-21-11-9-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,20H,9-14H2
InChIKeyXTWVPNCNMJHROX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.82
Rot. Bonds8

About 2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol

2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol (PubChem CID 658559) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol
PubChem CID658559
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol
SMILESOCCOCCOCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H21NO3/c20-10-12-22-14-13-21-11-9-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,20H,9-14H2
InChIKeyXTWVPNCNMJHROX-UHFFFAOYSA-N
XLogP2.82
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol (CID 658559) is 2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol is OCCOCCOCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol?
The InChIKey is XTWVPNCNMJHROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-10-12-22-14-13-21-11-9-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,20H,9-14H2.
What are the key properties of 2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol?
2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol has a molecular weight of 299.37 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-carbazol-9-ylethoxy)ethoxy]ethanol is sourced from PubChem (CID 658559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).