9-[ethoxy-(3-nitrophenyl)methyl]carbazole

C21H18N2O3 — CID 3773298

IUPAC9-[ethoxy-(3-nitrophenyl)methyl]carbazole
SMILESCCOC(c1cccc([N+](=O)[O-])c1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C21H18N2O3/c1-2-26-21(15-8-7-9-16(14-15)23(24)25)22-19-12-5-3-10-17(19)18-11-4-6-13-20(18)22/h3-14,21H,2H2,1H3
InChIKeyVBILVMCOZPUPHS-UHFFFAOYSA-N
MW346.39 g/mol
LogP5.29
Rot. Bonds5

About 9-[ethoxy-(3-nitrophenyl)methyl]carbazole

9-[ethoxy-(3-nitrophenyl)methyl]carbazole (PubChem CID 3773298) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 9-[ethoxy-(3-nitrophenyl)methyl]carbazole.

Molecular Properties

Compound Name9-[ethoxy-(3-nitrophenyl)methyl]carbazole
PubChem CID3773298
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name9-[ethoxy-(3-nitrophenyl)methyl]carbazole
SMILESCCOC(c1cccc([N+](=O)[O-])c1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C21H18N2O3/c1-2-26-21(15-8-7-9-16(14-15)23(24)25)22-19-12-5-3-10-17(19)18-11-4-6-13-20(18)22/h3-14,21H,2H2,1H3
InChIKeyVBILVMCOZPUPHS-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
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'}

Analyze 9-[ethoxy-(3-nitrophenyl)methyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
[1-(1-ethoxyethyl)pyrazol-4-yl]-(3-nitrophenyl)methanol
CID 118355837
ethane;1-nitro-3-propan-2-ylbenzene
CID 162531562
trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane
CID 10636842
1-(3-nitrophenyl)butan-1-amine
CID 43200371
2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
CID 114940764
3-methyl-2-(3-nitrophenyl)pentanenitrile
CID 103193900
(4-ethoxyphenyl)-(3-nitrophenyl)methanamine
CID 70193824
(R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol
CID 100803960
1-(1-fluoroethyl)-3-nitrobenzene
CID 139245530
molecular hydrogen;1-nitro-3-propan-2-ylbenzene
CID 167689608
N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 52530325

Frequently Asked Questions

What is the IUPAC name of 9-[ethoxy-(3-nitrophenyl)methyl]carbazole?
The IUPAC name of 9-[ethoxy-(3-nitrophenyl)methyl]carbazole (CID 3773298) is 9-[ethoxy-(3-nitrophenyl)methyl]carbazole.
What is the SMILES notation for 9-[ethoxy-(3-nitrophenyl)methyl]carbazole?
The canonical SMILES for 9-[ethoxy-(3-nitrophenyl)methyl]carbazole is CCOC(c1cccc([N+](=O)[O-])c1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[ethoxy-(3-nitrophenyl)methyl]carbazole?
The InChIKey is VBILVMCOZPUPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-2-26-21(15-8-7-9-16(14-15)23(24)25)22-19-12-5-3-10-17(19)18-11-4-6-13-20(18)22/h3-14,21H,2H2,1H3.
What are the key properties of 9-[ethoxy-(3-nitrophenyl)methyl]carbazole?
9-[ethoxy-(3-nitrophenyl)methyl]carbazole has a molecular weight of 346.39 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[ethoxy-(3-nitrophenyl)methyl]carbazole is sourced from PubChem (CID 3773298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).