9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole

C21H18N2O3 — CID 2290369

IUPAC9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole
SMILESCc1ccc(OCCn2c3ccccc3c3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C21H18N2O3/c1-15-10-11-21(20(14-15)23(24)25)26-13-12-22-18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-11,14H,12-13H2,1H3
InChIKeyNDXFVSPOIQKTIG-UHFFFAOYSA-N
MW346.39 g/mol
LogP5.09
Rot. Bonds5

About 9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole

9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole (PubChem CID 2290369) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole.

Molecular Properties

Compound Name9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole
PubChem CID2290369
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole
SMILESCc1ccc(OCCn2c3ccccc3c3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C21H18N2O3/c1-15-10-11-21(20(14-15)23(24)25)26-13-12-22-18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-11,14H,12-13H2,1H3
InChIKeyNDXFVSPOIQKTIG-UHFFFAOYSA-N
XLogP5.09
TPSA57.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.39
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole?
The IUPAC name of 9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole (CID 2290369) is 9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole.
What is the SMILES notation for 9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole?
The canonical SMILES for 9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole is Cc1ccc(OCCn2c3ccccc3c3ccccc32)c([N+](=O)[O-])c1.
What is the InChIKey of 9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole?
The InChIKey is NDXFVSPOIQKTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-15-10-11-21(20(14-15)23(24)25)26-13-12-22-18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-11,14H,12-13H2,1H3.
What are the key properties of 9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole?
9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole has a molecular weight of 346.39 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-methyl-2-nitrophenoxy)ethyl]carbazole is sourced from PubChem (CID 2290369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).