1-ethyl-3-(4-nitrophenoxy)benzene

C14H13NO3 — CID 22968899

IUPAC1-ethyl-3-(4-nitrophenoxy)benzene
SMILESCCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13NO3/c1-2-11-4-3-5-14(10-11)18-13-8-6-12(7-9-13)15(16)17/h3-10H,2H2,1H3
InChIKeyCSGLAXRYRCSOCS-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.95
Rot. Bonds4

About 1-ethyl-3-(4-nitrophenoxy)benzene

1-ethyl-3-(4-nitrophenoxy)benzene (PubChem CID 22968899) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-ethyl-3-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name1-ethyl-3-(4-nitrophenoxy)benzene
PubChem CID22968899
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-ethyl-3-(4-nitrophenoxy)benzene
SMILESCCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13NO3/c1-2-11-4-3-5-14(10-11)18-13-8-6-12(7-9-13)15(16)17/h3-10H,2H2,1H3
InChIKeyCSGLAXRYRCSOCS-UHFFFAOYSA-N
XLogP3.95
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

1-methyl-3-(4-nitrophenoxy)benzene
CID 16816
[3-(4-nitrophenoxy)phenyl]methyl benzoate
CID 126177903
1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
CID 60627241
1-chloro-3-(4-nitrophenoxy)benzene
CID 16815
[3-(4-nitrophenoxy)phenyl]methyl 4-tert-butylbenzoate
CID 126184221
[3-(4-nitrophenoxy)phenyl]methyl 2-(propanoylamino)acetate
CID 5027418
benzyl 3-(4-nitrophenoxy)benzoate
CID 957442
[3-(4-nitrophenoxy)phenyl]methyl naphthalene-1-carboxylate
CID 3953343
[3-(4-nitrophenoxy)phenyl]methyl thiophene-2-carboxylate
CID 5026526
2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 2792700
1-(iodomethyl)-3-(3-nitrophenoxy)benzene
CID 166790575
[3-(4-nitrophenoxy)phenyl]methyl 4-amino-3,5-dibromobenzoate
CID 126177867

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-nitrophenoxy)benzene?
The IUPAC name of 1-ethyl-3-(4-nitrophenoxy)benzene (CID 22968899) is 1-ethyl-3-(4-nitrophenoxy)benzene.
What is the SMILES notation for 1-ethyl-3-(4-nitrophenoxy)benzene?
The canonical SMILES for 1-ethyl-3-(4-nitrophenoxy)benzene is CCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 1-ethyl-3-(4-nitrophenoxy)benzene?
The InChIKey is CSGLAXRYRCSOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-11-4-3-5-14(10-11)18-13-8-6-12(7-9-13)15(16)17/h3-10H,2H2,1H3.
What are the key properties of 1-ethyl-3-(4-nitrophenoxy)benzene?
1-ethyl-3-(4-nitrophenoxy)benzene has a molecular weight of 243.26 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-nitrophenoxy)benzene is sourced from PubChem (CID 22968899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).