1-chloro-2-ethoxy-4-nitrobenzene

C8H8ClNO3 — CID 69438761

IUPAC1-chloro-2-ethoxy-4-nitrobenzene
SMILESCCOc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H8ClNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3
InChIKeyQYTNTDMOSPPSMY-UHFFFAOYSA-N
MW201.61 g/mol
LogP2.65
Rot. Bonds3

About 1-chloro-2-ethoxy-4-nitrobenzene

1-chloro-2-ethoxy-4-nitrobenzene (PubChem CID 69438761) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 1-chloro-2-ethoxy-4-nitrobenzene.

Molecular Properties

Compound Name1-chloro-2-ethoxy-4-nitrobenzene
PubChem CID69438761
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name1-chloro-2-ethoxy-4-nitrobenzene
SMILESCCOc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H8ClNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3
InChIKeyQYTNTDMOSPPSMY-UHFFFAOYSA-N
XLogP2.65
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 52.65
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

2-(2-chloro-5-nitrophenoxy)-N-ethylethanamine
CID 63990575
1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene
CID 91404265
2-(2-chloro-5-nitrophenoxy)acetaldehyde
CID 63990784
1-(2-chloro-5-nitrophenoxy)pentan-2-one
CID 63990783
ethyl 2-amino-3-(2-chloro-5-nitrophenoxy)propanoate
CID 63992197
2-(2-azidoethoxy)-1-chloro-4-nitrobenzene
CID 63990768
ethyl 2-amino-4-(2-chloro-5-nitrophenoxy)butanoate
CID 63990596
2-chloro-6-ethoxy-4-nitrophenol
CID 71327079
1-chloro-2-[3-(2-methoxyethoxy)propoxy]-4-nitrobenzene
CID 103415777
1-chloro-3-ethoxy-2-methoxy-5-nitrobenzene
CID 125116075
2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene
CID 175152816
1-chloro-4-nitro-2-(4,4,4-trifluorobutoxy)benzene
CID 115519762

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethoxy-4-nitrobenzene?
The IUPAC name of 1-chloro-2-ethoxy-4-nitrobenzene (CID 69438761) is 1-chloro-2-ethoxy-4-nitrobenzene.
What is the SMILES notation for 1-chloro-2-ethoxy-4-nitrobenzene?
The canonical SMILES for 1-chloro-2-ethoxy-4-nitrobenzene is CCOc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-chloro-2-ethoxy-4-nitrobenzene?
The InChIKey is QYTNTDMOSPPSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3.
What are the key properties of 1-chloro-2-ethoxy-4-nitrobenzene?
1-chloro-2-ethoxy-4-nitrobenzene has a molecular weight of 201.61 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethoxy-4-nitrobenzene is sourced from PubChem (CID 69438761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).